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

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

The structure of Crystal Structure of Endoglucanase CEL5A From the Hyperthermophilic Thermotoga Maritima also contains other interesting chemical elements:

Cadmium

(Cd)

20 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

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;

Nickel binding site 1 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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

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