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Nickel in PDB 3mmu: Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima

Protein crystallography data

The structure of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima, PDB code: 3mmu was solved by J.H.Pereira, Z.Chen, R.P.Mcandrew, R.Sapra, S.R.Chhabra, K.L.Sale, B.A.Simmons, P.D.Adams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.99 / 2.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 87.584, 95.791, 103.497, 64.08, 75.07, 68.73
R / Rfree (%) 20.5 / 21.8

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima (pdb code 3mmu). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 36 binding sites of Nickel where determined in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima, PDB code: 3mmu:
Jump to Nickel binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10; 11; 12; 13; 14; 15; 16; 17; 18; 19; 20; 21; 22; 23; 24; 25; 26; 27; 28; 29; 30; 31; 32; 33; 34; 35; 36;

Nickel binding site 1 out of 36 in 3mmu

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Nickel binding site 1 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni321

b:34.3
occ:1.00
O H:HOH1012 2.1 29.4 1.0
OE1 H:GLU78 2.3 48.2 1.0
OE1 A:GLU144 2.3 48.0 1.0
O A:HOH672 2.6 55.4 1.0
OE2 H:GLU78 2.6 57.7 1.0
OE2 A:GLU144 2.7 61.7 1.0
CD A:GLU144 2.8 48.9 1.0
CD H:GLU78 2.8 50.0 1.0
NH1 H:ARG75 4.1 39.4 1.0
CG A:GLU144 4.2 42.6 1.0
CD H:ARG75 4.2 35.3 1.0
O H:HOH1254 4.3 41.7 1.0
CG H:GLU78 4.3 43.2 1.0
O H:HOH1325 4.7 53.0 1.0
O A:HOH1323 4.8 51.9 1.0
O A:HOH1324 4.8 65.4 1.0
CZ H:ARG75 4.9 36.9 1.0
NE H:ARG75 4.9 34.2 1.0
CB A:GLU144 4.9 31.3 1.0
CB H:GLU78 4.9 36.3 1.0

Nickel binding site 2 out of 36 in 3mmu

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Nickel binding site 2 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni322

b:80.2
occ:1.00
OD2 A:ASP226 1.3 78.7 1.0
OD1 G:ASP227 2.2 55.8 1.0
O G:HOH668 2.2 46.5 1.0
NE2 A:HIS230 2.5 65.1 1.0
CG A:ASP226 2.6 70.7 1.0
O A:HOH774 2.8 39.7 1.0
CE1 A:HIS230 2.8 66.2 1.0
CG G:ASP227 3.2 49.1 1.0
OD1 A:ASP226 3.5 71.2 1.0
OD2 G:ASP227 3.5 48.5 1.0
CB A:ASP226 3.6 71.8 1.0
CD2 A:HIS230 3.7 60.9 1.0
O G:HOH1234 3.8 50.9 1.0
ND1 A:HIS230 4.1 62.4 1.0
O G:HOH567 4.2 44.6 1.0
OG G:SER224 4.4 71.4 1.0
CB G:ASP227 4.5 49.5 1.0
O G:HOH830 4.5 67.7 1.0
CG A:HIS230 4.6 58.6 1.0
NZ A:LYS229 4.6 79.4 1.0
CE A:LYS229 4.8 84.5 1.0
O A:HOH1064 4.8 49.1 1.0
CA G:ASP227 4.8 57.1 1.0
N G:ASP227 4.8 58.7 1.0
CA A:ASP226 4.9 70.8 1.0
O G:LYS221 4.9 53.2 1.0
CB G:SER224 4.9 70.9 1.0

Nickel binding site 3 out of 36 in 3mmu

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Nickel binding site 3 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni323

b:81.2
occ:1.00
OE1 A:GLU202 2.7 78.3 1.0
OE2 A:GLU202 2.9 71.2 1.0
CD A:GLU202 3.2 73.6 1.0
O G:HOH869 3.8 60.4 1.0
NH2 A:ARG220 4.1 69.7 1.0
NE1 A:TRP217 4.1 65.2 1.0
CG G:GLU234 4.3 41.7 1.0
CD1 A:TRP217 4.4 66.4 1.0
O A:HOH1247 4.5 52.2 1.0
CG A:GLU202 4.7 66.3 1.0
OE2 G:GLU234 4.8 50.5 1.0
CD A:LYS216 5.0 0.9 1.0

Nickel binding site 4 out of 36 in 3mmu

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Nickel binding site 4 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni324

b:94.2
occ:1.00
OD1 A:ASP305 2.2 72.2 1.0
CG A:ASP305 3.0 70.9 1.0
OD2 A:ASP305 3.1 74.9 1.0
CB A:ASP305 4.5 63.9 1.0
CA A:ASP305 5.0 58.4 1.0

Nickel binding site 5 out of 36 in 3mmu

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Nickel binding site 5 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 5 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni325

b:85.0
occ:1.00
NE2 A:HIS205 2.7 50.3 1.0
O A:HOH1027 3.1 41.7 1.0
CE1 A:HIS205 3.3 43.0 1.0
CD2 A:HIS205 3.8 49.1 1.0
O A:HOH606 4.2 33.9 1.0
O A:HOH776 4.3 31.8 1.0
ND1 A:HIS205 4.5 42.1 1.0
CE2 A:PHE201 4.5 34.8 1.0
CE2 A:TYR198 4.5 32.0 1.0
CD A:CD320 4.6 50.3 1.0
CZ A:TYR198 4.6 33.1 1.0
CD2 A:TYR198 4.7 32.2 1.0
NE1 A:TRP210 4.7 45.5 1.0
O B:HOH1350 4.7 86.2 1.0
CG A:HIS205 4.7 48.2 1.0
CE1 A:TYR198 4.8 34.0 1.0
CG A:TYR198 4.9 35.8 1.0
CD1 A:TYR198 4.9 35.4 1.0

Nickel binding site 6 out of 36 in 3mmu

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Nickel binding site 6 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 6 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni326

b:71.8
occ:1.00
O B:HOH1237 2.7 68.0 1.0
CG A:MET69 3.8 40.1 1.0
ND2 B:ASN140 4.0 33.9 1.0
CB A:MET69 4.1 37.1 1.0
ND1 A:HIS59 4.4 24.2 1.0
CE A:MET69 4.5 58.2 1.0
O A:HOH1289 4.6 43.9 1.0
NH1 A:ARG71 4.7 86.1 1.0
SD A:MET69 4.7 69.7 1.0
O B:ASN102 4.8 40.0 1.0
O A:HOH772 4.8 44.0 1.0

Nickel binding site 7 out of 36 in 3mmu

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Nickel binding site 7 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 7 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni320

b:40.9
occ:1.00
O B:HOH638 2.2 33.6 1.0
OE1 G:GLU144 2.3 59.2 1.0
OE1 B:GLU78 2.3 55.8 1.0
OE2 G:GLU144 2.6 65.7 1.0
CD G:GLU144 2.7 57.0 1.0
OE2 B:GLU78 2.7 68.6 1.0
O G:HOH631 2.7 48.8 1.0
CD B:GLU78 2.9 59.0 1.0
CG G:GLU144 4.1 48.1 1.0
CD B:ARG75 4.2 35.8 1.0
NH1 B:ARG75 4.2 39.1 1.0
CG B:GLU78 4.4 52.9 1.0
O B:HOH987 4.6 44.4 1.0
CB G:GLU144 4.8 40.6 1.0
NE B:ARG75 4.9 35.1 1.0
CZ B:ARG75 4.9 37.8 1.0
CB B:GLU78 4.9 42.9 1.0

Nickel binding site 8 out of 36 in 3mmu

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Nickel binding site 8 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 8 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni321

b:37.8
occ:1.00
OE2 B:GLU180 1.5 66.2 1.0
CD B:GLU180 2.4 55.9 1.0
O B:HOH1263 2.6 34.4 1.0
OE1 B:GLU180 2.9 59.8 1.0
CG B:GLU180 3.6 56.8 1.0
NZ B:LYS244 3.7 76.4 1.0
CE B:LYS244 4.5 73.0 1.0
CD B:LYS244 4.5 60.5 1.0
CD1 B:TRP241 4.6 41.4 1.0
CB B:GLU180 4.9 49.3 1.0

Nickel binding site 9 out of 36 in 3mmu

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Nickel binding site 9 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 9 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni322

b:35.0
occ:1.00
OE1 B:GLU202 2.0 58.2 1.0
O B:HOH1288 2.3 34.0 1.0
OE2 B:GLU202 2.5 55.2 1.0
O B:HOH595 2.5 30.2 1.0
CD B:GLU202 2.6 51.8 1.0
NH2 B:ARG220 3.7 47.8 1.0
NE1 B:TRP217 4.0 44.6 1.0
CG B:GLU202 4.1 48.2 1.0
CD1 B:TRP217 4.2 43.0 1.0
CZ B:ARG220 4.7 46.9 1.0
CB B:GLU202 4.8 44.5 1.0
NH1 B:ARG220 4.8 44.0 1.0
O B:HOH1097 4.9 63.8 1.0
CE2 B:TRP217 4.9 40.7 1.0

Nickel binding site 10 out of 36 in 3mmu

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Nickel binding site 10 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 10 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni323

b:76.9
occ:1.00
NE2 B:HIS205 2.8 39.3 1.0
O B:HOH1249 3.0 44.2 1.0
CE1 B:HIS205 3.4 36.5 1.0
CD2 B:HIS205 3.8 40.3 1.0
O B:HOH775 4.1 53.2 1.0
CE2 B:PHE201 4.3 31.5 1.0
O B:HOH611 4.4 34.9 1.0
ND1 B:HIS205 4.5 39.5 1.0
NE1 B:TRP210 4.6 31.1 1.0
CD B:CD319 4.7 53.0 1.0
CG B:HIS205 4.7 42.8 1.0
CE2 B:TYR198 4.8 31.0 1.0
CD2 B:TYR198 4.9 31.0 1.0
CZ B:TYR198 4.9 33.9 1.0
CZ B:PHE201 5.0 32.9 1.0

Nickel binding site 11 out of 36 in 3mmu

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Nickel binding site 11 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 11 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni324

b:92.3
occ:1.00
OE1 B:GLU127 3.3 72.8 1.0
NE B:ARG8 4.3 45.7 1.0
CD B:GLU127 4.5 74.7 1.0
CD1 B:ILE11 4.7 56.0 1.0
NH2 B:ARG8 4.7 49.2 1.0
CZ B:ARG8 5.0 46.7 1.0

Nickel binding site 12 out of 36 in 3mmu

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Nickel binding site 12 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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A full contact list of Nickel with other atoms in the Ni binding site number 12 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni321

b:58.4
occ:1.00
O C:HOH962 2.5 63.4 1.0
OE2 F:GLU78 2.6 83.4 1.0
OE1 C:GLU144 2.6 86.8 1.0
OE1 F:GLU78 2.6 62.6 1.0
CD F:GLU78 3.0 68.2 1.0
OE2 C:GLU144 3.0 87.5 1.0
CD C:GLU144 3.1 78.6 1.0
CG F:GLU78 4.5 60.9 1.0
CG C:GLU144 4.5 71.9 1.0
NH1 F:ARG75 4.6 42.4 1.0
CD F:ARG75 4.9 36.3 1.0

Nickel binding site 13 out of 36 in 3mmu

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Nickel binding site 13 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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A full contact list of Nickel with other atoms in the Ni binding site number 13 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni322

b:0.8
occ:1.00
OD2 C:ASP226 1.9 0.2 1.0
CE1 C:HIS230 2.5 93.9 1.0
OD1 E:ASP227 2.7 90.8 1.0
NE2 C:HIS230 2.8 97.9 1.0
CG C:ASP226 3.1 0.2 1.0
ND1 C:HIS230 3.7 94.0 1.0
OD1 C:ASP226 3.8 0.1 1.0
CG E:ASP227 4.0 90.3 1.0
CD2 C:HIS230 4.1 92.3 1.0
CB C:ASP226 4.3 95.2 1.0
CB E:ASP226 4.5 0.1 1.0
N E:ASP227 4.5 99.5 1.0
OD2 E:ASP226 4.5 0.4 1.0
OG E:SER224 4.6 98.5 1.0
CG C:HIS230 4.6 89.4 1.0
CD2 E:HIS230 4.6 0.2 1.0
OD2 E:ASP227 4.7 84.9 1.0
CA E:ASP227 4.7 90.3 1.0
NE2 E:HIS230 4.8 0.8 1.0
NZ C:LYS229 4.8 0.6 1.0
CB E:ASP227 5.0 84.2 1.0

Nickel binding site 14 out of 36 in 3mmu

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Nickel binding site 14 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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A full contact list of Nickel with other atoms in the Ni binding site number 14 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni323

b:98.8
occ:1.00
NE2 C:HIS205 2.7 50.0 1.0
CE1 C:HIS205 3.3 50.0 1.0
CD2 C:HIS205 3.7 51.5 1.0
O C:HOH598 4.4 38.1 1.0
CE2 C:PHE201 4.4 45.2 1.0
O C:HOH623 4.4 47.1 1.0
ND1 C:HIS205 4.5 53.7 1.0
NE1 C:TRP210 4.5 40.8 1.0
CG C:HIS205 4.7 54.0 1.0
CD C:CD320 4.7 63.7 1.0
CE2 C:TYR198 4.8 47.1 1.0
CZ C:TYR198 4.8 48.6 1.0
CD2 C:TYR198 4.9 45.9 1.0

Nickel binding site 15 out of 36 in 3mmu

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Nickel binding site 15 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 15 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni324

b:0.1
occ:1.00
CG C:MET69 3.5 49.8 1.0
CB C:MET69 3.8 44.5 1.0
ND1 C:HIS59 4.2 34.0 1.0
CE C:MET69 4.3 63.3 1.0
ND2 D:ASN140 4.3 45.1 1.0
SD C:MET69 4.4 76.6 1.0
CB C:HIS59 4.8 37.2 1.0
CG C:HIS59 4.9 34.1 1.0
CA C:HIS59 4.9 38.0 1.0
NH1 C:ARG71 5.0 82.2 1.0

Nickel binding site 16 out of 36 in 3mmu

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Nickel binding site 16 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 16 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni325

b:0.8
occ:1.00
O D:HOH1294 2.9 53.6 1.0
ND2 C:ASN140 3.4 37.6 1.0
CE D:MET69 3.9 51.6 1.0
SD D:MET69 3.9 57.9 1.0
O D:HOH1295 4.2 78.5 1.0
CG C:ASN140 4.4 37.5 1.0
CG D:MET69 4.5 38.4 1.0
OD1 C:ASN140 4.6 41.7 1.0
O C:ASN102 4.8 33.8 1.0
CB D:MET69 5.0 32.1 1.0

Nickel binding site 17 out of 36 in 3mmu

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Nickel binding site 17 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 17 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ni326

b:0.1
occ:1.00
OE1 C:GLU127 2.9 96.9 1.0
CD C:GLU127 4.1 99.3 1.0
NE C:ARG8 4.1 63.1 1.0
NH2 C:ARG8 4.1 67.1 1.0
CZ C:ARG8 4.6 62.3 1.0
OE2 C:GLU127 4.6 0.8 1.0

Nickel binding site 18 out of 36 in 3mmu

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Nickel binding site 18 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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A full contact list of Nickel with other atoms in the Ni binding site number 18 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni320

b:53.5
occ:1.00
OE1 D:GLU78 2.4 58.9 1.0
O D:HOH659 2.6 50.9 1.0
OE1 E:GLU144 2.6 70.9 1.0
OE2 D:GLU78 2.7 82.7 1.0
O D:HOH436 2.9 71.9 1.0
CD D:GLU78 2.9 63.0 1.0
OE2 E:GLU144 3.0 77.9 1.0
CD E:GLU144 3.1 68.8 1.0
O D:HOH1261 3.4 57.7 1.0
CG D:GLU78 4.4 59.2 1.0
NH1 D:ARG75 4.4 48.4 1.0
CG E:GLU144 4.5 58.7 1.0
CD D:ARG75 4.5 37.9 1.0

Nickel binding site 19 out of 36 in 3mmu

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Nickel binding site 19 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 19 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni321

b:92.4
occ:1.00
O D:HOH1266 2.7 46.3 1.0
O D:HOH1267 2.7 68.6 1.0
OE1 D:GLU127 2.8 87.8 1.0
CD D:GLU127 4.1 85.0 1.0
NE D:ARG8 4.3 46.7 1.0
NH2 D:ARG8 4.5 50.4 1.0
OE2 D:GLU127 4.7 88.1 1.0
CZ D:ARG8 4.9 50.6 1.0

Nickel binding site 20 out of 36 in 3mmu

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Nickel binding site 20 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 20 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ni322

b:0.6
occ:1.00
NE2 D:HIS205 2.9 54.9 1.0
O D:HOH1252 3.2 52.6 1.0
CE1 D:HIS205 3.6 53.1 1.0
O D:HOH1011 3.7 36.1 1.0
O D:HOH1319 3.8 57.5 1.0
CD2 D:HIS205 3.9 53.2 1.0
NE1 D:TRP210 4.3 54.4 1.0
CD D:CD319 4.4 60.5 1.0
CZ D:TYR198 4.6 46.5 1.0
CE2 D:TYR198 4.8 43.5 1.0
ND1 D:HIS205 4.8 56.3 1.0
CE1 D:TYR198 4.9 53.0 1.0
OH D:TYR198 4.9 43.3 1.0
CZ2 D:TRP210 4.9 56.5 1.0
CG D:HIS205 5.0 54.9 1.0
CE2 D:TRP210 5.0 52.9 1.0

Nickel binding site 21 out of 36 in 3mmu

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Nickel binding site 21 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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A full contact list of Nickel with other atoms in the Ni binding site number 21 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ni321

b:49.1
occ:1.00
O E:HOH1331 2.4 35.1 1.0
OE2 E:GLU78 2.5 69.2 1.0
OE1 E:GLU78 2.7 52.9 1.0
CD E:GLU78 3.0 56.6 1.0
NH1 E:ARG75 4.4 38.1 1.0
CG E:GLU78 4.5 48.6 1.0
CD E:ARG75 4.8 36.9 1.0

Nickel binding site 22 out of 36 in 3mmu

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Nickel binding site 22 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 22 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ni322

b:0.7
occ:1.00
O E:HOH788 2.4 67.2 1.0
NE2 E:HIS205 2.6 50.5 1.0
CE1 E:HIS205 3.1 47.3 1.0
CD2 E:HIS205 3.6 52.5 1.0
CE2 E:PHE201 3.9 47.4 1.0
O E:HOH1070 4.2 75.6 1.0
ND1 E:HIS205 4.2 49.1 1.0
CG E:HIS205 4.4 53.9 1.0
CZ E:PHE201 4.6 53.0 1.0
NE1 E:TRP210 4.7 48.4 1.0
CD2 E:TYR198 4.8 46.6 1.0
CE2 E:TYR198 4.8 46.9 1.0
CD2 E:PHE201 4.9 49.0 1.0
O E:HOH666 5.0 42.1 1.0
CG E:TYR198 5.0 51.8 1.0
CZ E:TYR198 5.0 46.9 1.0

Nickel binding site 23 out of 36 in 3mmu

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Nickel binding site 23 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 23 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ni323

b:0.0
occ:1.00
O E:HOH1297 3.4 51.4 1.0
CG E:MET69 3.6 42.8 1.0
CB E:MET69 3.8 33.4 1.0
O E:HOH983 3.9 73.9 1.0
ND1 E:HIS59 4.0 30.7 1.0
O E:HOH640 4.3 60.1 1.0
NH1 E:ARG71 4.7 78.8 1.0
CG E:HIS59 4.7 28.9 1.0
CE E:MET69 4.7 60.2 1.0
CB E:HIS59 4.7 30.6 1.0
SD E:MET69 4.7 67.9 1.0
CB E:PHE72 4.7 32.2 1.0
ND2 F:ASN140 4.8 38.7 1.0
CA E:HIS59 4.9 32.6 1.0
CB E:ARG71 5.0 48.9 1.0
N E:PHE72 5.0 36.6 1.0

Nickel binding site 24 out of 36 in 3mmu

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Nickel binding site 24 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 24 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ni324

b:94.6
occ:1.00
O E:HOH662 2.7 47.5 1.0
OE1 E:GLU127 3.1 74.7 1.0
CD E:GLU127 4.3 75.0 1.0
NE E:ARG8 4.6 40.9 1.0
NH2 E:ARG8 4.8 41.0 1.0
CD1 E:ILE11 5.0 54.5 1.0

Nickel binding site 25 out of 36 in 3mmu

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Nickel binding site 25 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 25 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni320

b:0.6
occ:1.00
OD2 F:ASP226 2.2 0.5 1.0
NE2 F:HIS230 2.4 0.9 1.0
CE1 F:HIS230 2.5 0.4 1.0
CG F:ASP226 3.4 0.6 1.0
CD2 F:HIS230 3.7 1.0 1.0
ND1 F:HIS230 3.9 0.7 1.0
OD1 F:ASP226 4.0 0.0 1.0
CG F:HIS230 4.5 0.2 1.0
NZ F:LYS229 4.5 0.9 1.0
CB F:ASP226 4.6 0.0 1.0
CE F:LYS229 4.9 0.1 1.0

Nickel binding site 26 out of 36 in 3mmu

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Nickel binding site 26 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 26 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni321

b:0.6
occ:1.00
O F:HOH1062 3.2 42.7 1.0
NE2 F:HIS205 3.2 51.8 1.0
CZ F:TYR198 3.6 51.1 1.0
CE1 F:HIS205 3.6 54.8 1.0
O F:HOH649 3.7 34.7 1.0
CE2 F:TYR198 3.7 48.4 1.0
CD F:CD319 3.7 62.8 1.0
O F:HOH663 3.8 37.1 1.0
OH F:TYR198 3.9 51.0 1.0
CE1 F:TYR198 4.0 53.7 1.0
CD2 F:TYR198 4.1 49.9 1.0
CD1 F:TYR198 4.4 54.3 1.0
CD2 F:HIS205 4.5 51.8 1.0
CG F:TYR198 4.5 56.2 1.0
OE1 F:GLU253 4.9 47.7 1.0
ND1 F:HIS205 4.9 55.6 1.0

Nickel binding site 27 out of 36 in 3mmu

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Nickel binding site 27 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 27 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni322

b:78.1
occ:1.00
O F:HOH335 2.6 43.9 1.0
CG F:MET69 3.7 34.3 1.0
CB F:MET69 4.2 26.4 1.0
CE F:MET69 4.2 47.0 1.0
ND2 E:ASN140 4.3 32.1 1.0
ND1 F:HIS59 4.5 25.1 1.0
SD F:MET69 4.5 56.0 1.0
O F:HOH541 4.8 57.9 1.0
NH1 F:ARG71 4.9 75.8 1.0

Nickel binding site 28 out of 36 in 3mmu

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Nickel binding site 28 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 28 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni323

b:0.1
occ:1.00
OE1 F:GLU127 2.9 81.0 1.0
NE F:ARG8 4.0 45.4 1.0
CD F:GLU127 4.1 80.3 1.0
NH2 F:ARG8 4.2 43.9 1.0
CZ F:ARG8 4.6 43.7 1.0
OE2 F:GLU127 4.8 78.0 1.0
CD1 F:ILE11 4.9 66.9 1.0
CB F:GLU127 4.9 56.2 1.0
CD F:ARG8 5.0 45.3 1.0

Nickel binding site 29 out of 36 in 3mmu

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Nickel binding site 29 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 29 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ni321

b:59.5
occ:1.00
OE1 G:GLU202 2.6 74.1 1.0
OE2 G:GLU202 2.9 65.8 1.0
CD G:GLU202 3.1 68.1 1.0
O G:HOH343 3.2 72.1 1.0
NH2 G:ARG220 4.0 60.9 1.0
NE1 G:TRP217 4.2 55.5 1.0
CG A:GLU234 4.4 42.6 1.0
CD1 G:TRP217 4.4 60.4 1.0
CG G:GLU202 4.6 55.5 1.0
OE2 A:GLU234 4.8 45.7 1.0

Nickel binding site 30 out of 36 in 3mmu

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Nickel binding site 30 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 30 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ni322

b:0.2
occ:1.00
OD2 G:ASP226 1.5 84.8 1.0
OD1 A:ASP227 2.0 64.6 1.0
CG G:ASP226 2.7 80.0 1.0
O G:HOH830 2.9 67.7 1.0
CG A:ASP227 2.9 57.8 1.0
NE2 G:HIS230 3.0 72.7 1.0
CE1 G:HIS230 3.1 72.4 1.0
OD2 A:ASP227 3.2 56.8 1.0
OD1 G:ASP226 3.2 84.1 1.0
O G:HOH1391 3.3 71.3 1.0
CB G:ASP226 4.0 73.5 1.0
CD2 G:HIS230 4.3 66.5 1.0
CB A:ASP227 4.3 56.6 1.0
ND1 G:HIS230 4.5 68.5 1.0
O A:LYS221 4.5 67.9 1.0
NZ G:LYS229 4.6 76.0 1.0
CA A:ASP227 4.7 57.9 1.0
OG A:SER224 4.7 69.5 1.0
CE G:LYS229 4.8 84.9 1.0
N A:ASP227 4.9 61.4 1.0
CD1 A:TRP222 4.9 48.1 1.0

Nickel binding site 31 out of 36 in 3mmu

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Nickel binding site 31 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 31 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ni323

b:95.4
occ:1.00
NE2 G:HIS205 2.6 39.9 1.0
O G:HOH1351 2.6 43.8 1.0
CE1 G:HIS205 3.4 37.5 1.0
CD2 G:HIS205 3.5 41.6 1.0
O G:HOH688 4.0 42.1 1.0
O G:HOH589 4.3 26.9 1.0
CE2 G:PHE201 4.3 35.8 1.0
ND1 G:HIS205 4.5 39.1 1.0
CE2 G:TYR198 4.6 35.7 1.0
CG G:HIS205 4.6 41.0 1.0
CZ G:TYR198 4.6 35.2 1.0
CD2 G:TYR198 4.7 34.8 1.0
NE1 G:TRP210 4.7 42.9 1.0
CD G:CD320 4.8 54.0 1.0
CE1 G:TYR198 4.8 38.9 1.0
CG G:TYR198 4.8 38.4 1.0
CD1 G:TYR198 4.9 41.1 1.0
CZ G:PHE201 5.0 44.0 1.0

Nickel binding site 32 out of 36 in 3mmu

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Nickel binding site 32 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 32 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Ni324

b:99.7
occ:1.00
OE1 G:GLU127 2.8 77.8 1.0
O G:HOH593 2.9 67.5 1.0
CD G:GLU127 4.0 77.8 1.0
NH2 G:ARG8 4.4 42.6 1.0
NE G:ARG8 4.5 41.1 1.0
OE2 G:GLU127 4.5 82.9 1.0
CZ G:ARG8 5.0 39.8 1.0

Nickel binding site 33 out of 36 in 3mmu

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Nickel binding site 33 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


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Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 33 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ni320

b:38.3
occ:1.00
OE1 H:GLU202 2.1 63.7 1.0
O H:HOH657 2.4 43.4 1.0
O H:HOH624 2.5 42.0 1.0
OE2 H:GLU202 2.5 69.7 1.0
CD H:GLU202 2.6 65.8 1.0
NH2 H:ARG220 3.8 57.0 1.0
NE1 H:TRP217 4.1 58.2 1.0
CG H:GLU202 4.1 62.1 1.0
CD1 H:TRP217 4.4 56.8 1.0
CB H:GLU202 4.8 61.2 1.0
CZ H:ARG220 4.8 57.0 1.0
NH1 H:ARG220 4.9 58.2 1.0

Nickel binding site 34 out of 36 in 3mmu

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Nickel binding site 34 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 34 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ni321

b:88.6
occ:1.00
O H:HOH1264 2.7 48.6 1.0
O H:HOH1265 2.7 50.7 1.0
OE1 H:GLU127 2.9 87.0 1.0
CD H:GLU127 4.1 83.9 1.0
NE H:ARG8 4.2 41.6 1.0
NH2 H:ARG8 4.4 42.9 1.0
CZ H:ARG8 4.8 41.6 1.0
CD1 H:ILE11 4.8 60.2 1.0
OE2 H:GLU127 4.9 87.5 1.0

Nickel binding site 35 out of 36 in 3mmu

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Nickel binding site 35 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 35 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ni322

b:86.8
occ:1.00
O H:HOH1230 2.2 77.2 1.0
NE2 H:HIS205 2.7 44.0 1.0
CE1 H:HIS205 3.3 38.0 1.0
O H:HOH1322 3.3 52.6 1.0
O H:HOH824 3.4 48.5 1.0
CD2 H:HIS205 3.8 41.4 1.0
O H:HOH826 4.0 29.4 1.0
CZ H:TYR198 4.5 38.1 1.0
ND1 H:HIS205 4.5 37.7 1.0
NE1 H:TRP210 4.5 38.1 1.0
CE2 H:TYR198 4.5 35.7 1.0
CD H:CD319 4.6 50.9 1.0
CE1 H:TYR198 4.7 37.6 1.0
CD2 H:TYR198 4.8 31.5 1.0
CG H:HIS205 4.8 42.5 1.0
CE2 H:PHE201 4.8 33.7 1.0
OH H:TYR198 4.9 31.0 1.0
CD1 H:TYR198 4.9 38.1 1.0
CG H:TYR198 5.0 37.2 1.0

Nickel binding site 36 out of 36 in 3mmu

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Nickel binding site 36 out of 36 in the Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 36 of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Ni323

b:79.7
occ:1.00
O H:HOH1190 2.0 56.1 1.0
O H:HOH608 2.4 36.3 1.0
SD H:MET69 2.9 68.0 1.0
CE H:MET69 3.4 50.9 1.0
CG H:MET69 3.8 36.0 1.0
ND2 G:ASN140 4.1 37.5 1.0
CB H:MET69 4.2 31.9 1.0
O H:HOH823 4.2 72.1 1.0
O G:HOH1358 4.4 86.8 1.0
O H:HOH665 4.7 38.0 1.0
O G:ASN102 4.8 36.7 1.0
ND1 H:HIS59 4.9 27.9 1.0

Reference:

J.H.Pereira, Z.Chen, R.P.Mcandrew, R.Sapra, S.R.Chhabra, K.L.Sale, B.A.Simmons, P.D.Adams. Biochemical Characterization and Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima. J.Struct.Biol. V. 172 372 2010.
ISSN: ISSN 1047-8477
PubMed: 20599513
DOI: 10.1016/J.JSB.2010.06.018
Page generated: Fri Sep 25 08:28:36 2020
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