Nickel in PDB 9iyl: CHCODH2 Wt

All present enzymatic activity of CHCODH2 Wt:
1.2.7.4;

The structure of CHCODH2 Wt, PDB code: 9iyl was solved by S.Y.Kong, H.J.Yoon, S.M.Kim, H.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.90 / 1.28
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.94, 75.8, 71.65, 90, 111.59, 90
R / Rfree (%)	17.5 / 19.5

The structure of CHCODH2 Wt also contains other interesting chemical elements:

Iron

(Fe)

11 atoms

The binding sites of Nickel atom in the CHCODH2 Wt (pdb code 9iyl). 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 Wt, PDB code: 9iyl:

Nickel binding site 1 out of 1 in the CHCODH2 Wt


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of CHCODH2 Wt within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni703 b:27.2 occ:0.49 NI A:XCC703 0.0 27.2 0.5 SG A:CYS526 2.0 18.2 0.5 SG A:CYS526 2.0 31.7 0.5 O A:HOH1201 2.2 23.8 0.6 S1 A:XCC703 2.2 29.9 0.5 O A:HOH801 2.5 28.0 0.5 S4 A:XCC703 2.6 27.2 0.5 FE2 A:XCC703 3.1 24.9 0.5 FE3 A:XCC703 3.2 25.8 0.5 CB A:CYS526 3.2 16.5 0.5 CB A:CYS526 3.2 16.4 0.5 FE4 A:XCC703 3.7 30.2 0.5 NZ A:LYS563 4.1 19.5 1.0 NE2 A:HIS261 4.2 26.2 1.0 FE1 A:XCC703 4.3 29.8 0.5 O A:HOH971 4.4 16.0 1.0 S3 A:XCC703 4.5 26.2 0.5 CA A:CYS526 4.5 15.2 0.5 CA A:CYS526 4.6 15.2 0.5 SG A:CYS295 4.7 22.3 1.0 CE A:LYS563 4.7 16.8 1.0 CA A:GLY445 4.7 16.1 1.0 SG A:CYS446 4.8 20.6 1.0 CB A:LYS563 4.9 13.9 1.0 C A:GLY445 4.9 16.9 1.0 CD2 A:HIS261 5.0 19.2 1.0 CD1 A:ILE567 5.0 18.3 1.0

S.Y.Kong, H.J.Yoon, S.M.Kim, H.H.Lee. Air-Viable, Rapid Co Dehydrogenase with A Selectively Sealed Tunnel To Be Published.