Nickel in PDB 3b52: Ni,Fe-Codh-600 Mv State + CO2

All present enzymatic activity of Ni,Fe-Codh-600 Mv State + CO2:
1.2.99.2;

The structure of Ni,Fe-Codh-600 Mv State + CO2, PDB code: 3b52 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)	26.67 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.520, 74.570, 70.710, 90.00, 111.30, 90.00
R / Rfree (%)	15.3 / 18.2

The structure of Ni,Fe-Codh-600 Mv State + CO2 also contains other interesting chemical elements:

Iron

(Fe)

11 atoms

The binding sites of Nickel atom in the Ni,Fe-Codh-600 Mv State + CO2 (pdb code 3b52). 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-600 Mv State + CO2, PDB code: 3b52:

Nickel binding site 1 out of 1 in the Ni,Fe-Codh-600 Mv State + CO2


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-600 Mv State + CO2 within 5.0Å range: probe atom residue distance (Å) B Occ X:Ni1003 b:8.3 occ:0.60 NI X:WCC1003 0.0 8.3 0.6 C X:CO21005 2.0 8.4 0.8 S4 X:WCC1003 2.1 7.6 0.8 SG X:CYS526 2.1 8.6 1.0 S1 X:WCC1003 2.2 7.4 0.8 FE X:FE21004 2.4 7.3 0.1 O2 X:CO21005 2.6 8.1 0.8 FE X:FE21004 2.8 9.7 0.7 FE3 X:WCC1003 2.8 7.7 0.8 O1 X:CO21005 2.8 9.7 0.8 O X:HOH1887 2.9 28.7 1.0 FE1 X:WCC1003 3.3 6.4 0.8 CB X:CYS526 3.3 6.8 1.0 FE4 X:WCC1003 3.5 7.4 0.8 S3 X:WCC1003 3.6 6.5 0.8 SG X:CYS295 4.1 9.0 0.8 SG X:CYS295 4.3 6.4 0.2 S2 X:WCC1003 4.5 6.0 0.8 NE2 X:HIS261 4.5 13.2 1.0 NZ X:LYS563 4.5 7.2 1.0 CA X:GLY445 4.6 5.8 1.0 O X:HOH1102 4.6 4.3 1.0 SG X:CYS446 4.6 7.0 1.0 CA X:CYS526 4.7 5.8 1.0 C X:GLY445 4.8 6.1 1.0 CE X:LYS563 5.0 5.8 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