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Nickel in PDB 5o5d: Cellobiohydrolase CEL7A From T. Atroviride

Protein crystallography data

The structure of Cellobiohydrolase CEL7A From T. Atroviride, PDB code: 5o5d was solved by A.S.Borisova, J.Stahlberg, H.Hansson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.74 / 1.72
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 56.170, 71.670, 104.220, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 17.3

Other elements in 5o5d:

The structure of Cellobiohydrolase CEL7A From T. Atroviride also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Cellobiohydrolase CEL7A From T. Atroviride (pdb code 5o5d). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Cellobiohydrolase CEL7A From T. Atroviride, PDB code: 5o5d:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in 5o5d

Go back to Nickel Binding Sites List in 5o5d
Nickel binding site 1 out of 4 in the Cellobiohydrolase CEL7A From T. Atroviride


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni602

b:59.5
occ:1.00
CL A:CL610 2.3 52.6 1.0
ND1 A:HIS271 2.5 16.3 1.0
CG A:HIS271 3.3 14.4 1.0
CL A:CL611 3.3 44.9 1.0
CB A:HIS271 3.5 13.1 1.0
CE1 A:HIS271 3.5 16.5 1.0
CD2 A:HIS271 4.5 15.3 1.0
NE2 A:HIS271 4.6 16.2 1.0
OH A:TYR266 4.7 8.7 1.0
CA A:HIS271 5.0 11.5 1.0

Nickel binding site 2 out of 4 in 5o5d

Go back to Nickel Binding Sites List in 5o5d
Nickel binding site 2 out of 4 in the Cellobiohydrolase CEL7A From T. Atroviride


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni603

b:15.4
occ:1.00
O8 A:BTB605 1.8 25.0 1.0
NE2 A:HIS206 2.0 11.1 1.0
O6 A:BTB605 2.0 25.9 1.0
N A:BTB605 2.2 25.3 1.0
O1 A:BTB605 2.2 28.9 1.0
O3 A:BTB605 2.2 24.4 1.0
CE1 A:HIS206 2.7 11.7 1.0
C8 A:BTB605 2.7 25.4 1.0
C6 A:BTB605 2.9 25.5 1.0
C7 A:BTB605 2.9 25.4 1.0
C5 A:BTB605 3.0 25.6 1.0
C2 A:BTB605 3.0 26.1 1.0
C3 A:BTB605 3.1 26.4 1.0
C1 A:BTB605 3.1 26.8 1.0
CD2 A:HIS206 3.2 11.5 1.0
ND1 A:HIS206 3.9 11.8 1.0
O A:HOH775 4.0 12.9 0.5
CG A:HIS206 4.2 10.5 1.0
O A:HOH704 4.3 13.0 1.0
OG A:SER239 4.4 13.1 1.0
C4 A:BTB605 4.5 25.1 1.0

Nickel binding site 3 out of 4 in 5o5d

Go back to Nickel Binding Sites List in 5o5d
Nickel binding site 3 out of 4 in the Cellobiohydrolase CEL7A From T. Atroviride


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni502

b:63.5
occ:1.00
CL B:CL509 2.2 48.5 1.0
ND1 B:HIS271 2.5 15.6 1.0
CL B:CL510 3.1 45.1 1.0
CG B:HIS271 3.3 13.7 1.0
CB B:HIS271 3.4 12.6 1.0
CE1 B:HIS271 3.6 15.5 1.0
CD2 B:HIS271 4.5 14.4 1.0
NE2 B:HIS271 4.6 15.4 1.0
OH B:TYR266 4.7 8.5 1.0
O A:HOH1099 4.8 33.2 1.0
CA B:HIS271 4.9 11.3 1.0

Nickel binding site 4 out of 4 in 5o5d

Go back to Nickel Binding Sites List in 5o5d
Nickel binding site 4 out of 4 in the Cellobiohydrolase CEL7A From T. Atroviride


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni503

b:15.5
occ:1.00
O8 B:BTB505 1.8 24.4 1.0
O6 B:BTB505 2.0 25.9 1.0
NE2 B:HIS206 2.0 10.9 1.0
O1 B:BTB505 2.2 23.4 1.0
N B:BTB505 2.2 24.1 1.0
O4 B:BTB505 2.3 27.8 1.0
C8 B:BTB505 2.7 24.7 1.0
CE1 B:HIS206 2.7 11.5 1.0
C6 B:BTB505 2.9 24.8 1.0
C7 B:BTB505 2.9 24.3 1.0
C5 B:BTB505 3.0 24.5 1.0
C2 B:BTB505 3.0 24.8 1.0
C1 B:BTB505 3.1 25.2 1.0
CD2 B:HIS206 3.2 11.2 1.0
C4 B:BTB505 3.2 25.4 1.0
O B:HOH680 3.9 32.2 1.0
ND1 B:HIS206 3.9 11.4 1.0
CG B:HIS206 4.2 10.3 1.0
O B:HOH602 4.3 14.0 1.0
OG B:SER239 4.4 13.1 1.0
C3 B:BTB505 4.5 24.0 1.0

Reference:

A.S.Borisova, E.V.Eneyskaya, S.Jana, S.F.Badino, J.Kari, A.Amore, M.Karlsson, H.Hansson, M.Sandgren, M.E.Himmel, P.Westh, C.M.Payne, A.A.Kulminskaya, J.Stahlberg. Correlation of Structure, Function and Protein Dynamics in GH7 Cellobiohydrolases From Trichoderma Atroviride, T. Reesei and T. Harzianum. Biotechnol Biofuels V. 11 5 2018.
ISSN: ESSN 1754-6834
PubMed: 29344086
DOI: 10.1186/S13068-017-1006-7
Page generated: Wed Dec 16 01:42:14 2020

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