Nickel in PDB 3b53: Ni,Fe-Codh-320 Mv State

All present enzymatic activity of Ni,Fe-Codh-320 Mv State:
1.2.99.2;

The structure of Ni,Fe-Codh-320 Mv State, PDB code: 3b53 was solved by J.H.Jeoung, H.Dobbek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.66 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.830, 74.520, 70.740, 90.00, 111.40, 90.00
R / Rfree (%)	14.5 / 17.8

The structure of Ni,Fe-Codh-320 Mv State also contains other interesting chemical elements:

Iron

(Fe)

11 atoms

The binding sites of Nickel atom in the Ni,Fe-Codh-320 Mv State (pdb code 3b53). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Ni,Fe-Codh-320 Mv State, PDB code: 3b53:

Nickel binding site 1 out of 1 in the Ni,Fe-Codh-320 Mv State


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Ni,Fe-Codh-320 Mv State within 5.0Å range: probe atom residue distance (Å) B Occ X:Ni1003 b:13.6 occ:0.60 NI X:WCC1003 0.0 13.6 0.6 S3 X:WCC1003 2.1 13.1 0.8 S2 X:WCC1003 2.1 12.6 0.8 SG X:CYS526 2.2 11.4 1.0 FE X:FE21004 2.4 12.5 0.3 FE3 X:WCC1003 2.6 12.6 0.8 O X:HOH1888 2.7 10.3 0.6 FE X:FE21004 2.9 12.6 0.6 FE1 X:WCC1003 3.1 11.7 0.8 FE4 X:WCC1003 3.4 13.0 0.8 CB X:CYS526 3.4 9.9 1.0 S1 X:WCC1003 3.5 11.8 0.8 SG X:CYS295 4.2 13.2 0.7 SG X:CYS295 4.3 9.8 0.3 S4 X:WCC1003 4.4 11.5 0.8 NE2 X:HIS261 4.4 16.8 1.0 NZ X:LYS563 4.4 9.7 1.0 SG X:CYS446 4.6 10.6 1.0 CA X:GLY445 4.6 9.2 1.0 O X:HOH1101 4.6 8.9 1.0 CA X:CYS526 4.7 9.3 1.0 C X:GLY445 4.8 9.6 1.0 SG X:CYS333 4.9 11.6 1.0 O X:HOH1762 5.0 20.2 1.0

J.H.Jeoung, H.Dobbek. Carbon Dioxide Activation at the Ni,Fe-Cluster of Anaerobic Carbon Monoxide Dehydrogenase. Science V. 318 1461 2007.
ISSN: ISSN 0036-8075
PubMed: 18048691
DOI: 10.1126/SCIENCE.1148481