Nickel in PDB 7xdm: CHCODH2 A559W Mutant in Anaerobic Condition

All present enzymatic activity of CHCODH2 A559W Mutant in Anaerobic Condition:
1.2.7.4;

The structure of CHCODH2 A559W Mutant in Anaerobic Condition, PDB code: 7xdm was solved by Y.Y.Heo, S.M.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.83 / 1.74
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.483, 75.803, 71.384, 90, 111.48, 90
R / Rfree (%)	16.4 / 19.2

The structure of CHCODH2 A559W Mutant in Anaerobic Condition also contains other interesting chemical elements:

Iron

(Fe)

10 atoms

The binding sites of Nickel atom in the CHCODH2 A559W Mutant in Anaerobic Condition (pdb code 7xdm). 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 CHCODH2 A559W Mutant in Anaerobic Condition, PDB code: 7xdm:

Nickel binding site 1 out of 1 in the CHCODH2 A559W Mutant in Anaerobic Condition


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of CHCODH2 A559W Mutant in Anaerobic Condition within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni703 b:39.8 occ:1.00 NI1 A:NFS703 0.0 39.8 1.0 SG A:CYS526 2.0 33.2 1.0 S3 A:NFS703 2.3 31.6 1.0 S2 A:NFS703 2.3 49.1 1.0 S5 A:NFS703 2.4 30.4 1.0 FE1 A:NFS703 2.8 46.8 1.0 FE3 A:NFS703 2.8 30.4 1.0 CB A:CYS526 3.2 24.8 1.0 FE4 A:NFS703 3.5 36.5 1.0 FE2 A:NFS703 3.8 35.0 1.0 S1 A:NFS703 4.1 41.6 1.0 NE2 A:HIS261 4.3 30.6 1.0 NZ A:LYS563 4.3 27.6 1.0 O A:HOH985 4.4 22.1 1.0 CA A:CYS526 4.5 21.0 1.0 SG A:CYS295 4.6 30.4 1.0 SG A:CYS446 4.6 20.3 1.0 CA A:GLY445 4.7 17.4 1.0 S4 A:NFS703 4.8 30.7 1.0 C A:GLY445 4.9 22.6 1.0

S.M.Kim, J.H.Lee, S.H.Kang, Y.Y.Heo, H.J.Yoon, J.S.Hahn, H.H.Lee, Y.H.Kim. O2-Tolerant Co Dehydrogenase Via Tunnel Redesign For the Removal of Co From Industrial Flue Gas Nat Catal V. 5 807 2022.
ISSN: ESSN 2520-1158
DOI: 10.1038/S41929-022-00834-Y