Chlorine 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:

Nickel	(Ni)	1 atom
Iron	(Fe)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of SSR1698 in Complex with Heme C, PDB code: 8zxr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of SSR1698 in Complex with Heme C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl202 b:13.7 occ:0.32 NI A:NI201 2.3 14.0 0.3 CL A:CL203 3.9 15.4 1.0 CD A:ARG12 4.0 16.9 1.0 CE1 A:HIS16 4.1 16.1 1.0 NE A:ARG12 4.2 15.0 1.0 CZ A:ARG12 4.7 16.5 1.0 ND1 A:HIS16 5.0 12.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of SSR1698 in Complex with Heme C


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of SSR1698 in Complex with Heme C within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:15.4 occ:1.00 NI A:NI201 2.2 14.0 0.3 CGA B:HEC101 3.3 12.0 1.0 CBA B:HEC101 3.4 15.4 1.0 O2A B:HEC101 3.6 15.2 1.0 O1A B:HEC101 3.6 12.5 1.0 ND1 A:HIS16 3.7 12.1 1.0 CAA B:HEC101 3.7 15.7 1.0 CBD B:HEC101 3.7 12.5 1.0 CAD B:HEC101 3.7 13.9 1.0 CE1 A:HIS16 3.7 16.1 1.0 CL A:CL202 3.9 13.7 0.3 CHA B:HEC101 4.0 16.2 1.0 CG A:HIS16 4.6 15.8 1.0 NE2 A:HIS16 4.6 14.9 1.0 C3D B:HEC101 4.7 16.6 1.0 C2A B:HEC101 4.7 14.9 1.0 C1A B:HEC101 4.8 15.8 1.0 C4D B:HEC101 4.8 13.9 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