Nickel in PDB 9iyu: CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition

All present enzymatic activity of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition:
1.2.7.4;

The structure of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition, PDB code: 9iyu 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)	35.08 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	112.638, 76.281, 72.084, 90, 112.36, 90
R / Rfree (%)	18.6 / 22.2

The structure of CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition also contains other interesting chemical elements:

Iron

(Fe)

11 atoms

The binding sites of Nickel atom in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure Condition (pdb code 9iyu). 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_V610H Mutant in 24HOUR Air Exposure Condition, PDB code: 9iyu:

Nickel binding site 1 out of 1 in the CHCODH2 A559W_V610H Mutant in 24HOUR Air Exposure 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_V610H Mutant in 24HOUR Air Exposure Condition within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni703 b:54.8 occ:0.60 NI A:XCC703 0.0 54.8 0.6 SG A:CYS526 2.0 41.3 0.5 SG A:CYS526 2.0 41.7 0.5 S1 A:XCC703 2.2 54.8 0.6 S4 A:XCC703 2.7 46.0 0.6 O A:HOH802 2.7 44.8 1.0 CB A:CYS526 2.9 32.2 0.5 FE2 A:XCC703 2.9 55.5 0.6 CB A:CYS526 2.9 32.1 0.5 FE3 A:XCC703 3.2 50.5 0.6 FE4 A:XCC703 3.7 58.8 0.6 NZ A:LYS563 4.1 38.6 1.0 CA A:CYS526 4.2 29.4 0.5 CA A:CYS526 4.3 29.4 0.5 O A:HOH865 4.3 31.2 1.0 FE1 A:XCC703 4.4 53.5 0.6 S3 A:XCC703 4.5 53.6 0.6 CA A:GLY445 4.6 32.7 1.0 SG A:CYS295 4.7 39.6 1.0 NE2 A:HIS261 4.7 45.2 1.0 SG A:CYS446 4.8 30.7 1.0 CD1 A:ILE567 4.8 23.7 1.0 C A:GLY445 4.8 32.6 1.0 CB A:LYS563 4.9 23.7 1.0 CE A:LYS563 5.0 37.4 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.