Nickel in PDB 8zxr: Crystal Structure of SSR1698 in Complex with Heme C

The structure of Crystal Structure of SSR1698 in Complex with Heme C, PDB code: 8zxr was solved by X.Wang, L.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.20 / 1.60
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.597, 83.597, 69.3, 90, 90, 120
R / Rfree (%)	18.6 / 21.8

The structure of Crystal Structure of SSR1698 in Complex with Heme C also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Iron	(Fe)	1 atom

The binding sites of Nickel atom in the Crystal Structure of SSR1698 in Complex with Heme C (pdb code 8zxr). 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 Crystal Structure of SSR1698 in Complex with Heme C, PDB code: 8zxr:

Nickel binding site 1 out of 1 in the Crystal Structure of SSR1698 in Complex with Heme C


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of SSR1698 in Complex with Heme C within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:14.0 occ:0.33 CL A:CL203 2.2 15.4 1.0 CL A:CL202 2.3 13.7 0.3 CE1 A:HIS16 3.8 16.1 1.0 CBD B:HEC101 4.4 12.5 1.0 CAD B:HEC101 4.4 13.9 1.0 ND1 A:HIS16 4.4 12.1 1.0 NE2 A:HIS16 4.5 14.9 1.0 O1A B:HEC101 5.0 12.5 1.0 CGA B:HEC101 5.0 12.0 1.0

X.Y.Wang, J.Zhang, H.Y.Li, C.S.Dong, H.E.Dai, M.Wang, L.Liu. Structural Basis For Monomer-Dimer Transition of DRI1 Upon Heme Binding. Proteins 2024.
ISSN: ESSN 1097-0134
PubMed: 39670557
DOI: 10.1002/PROT.26778