Chlorine in PDB 3kcx: Factor Inhibiting Hif-1 Alpha in Complex with Clioquinol

All present enzymatic activity of Factor Inhibiting Hif-1 Alpha in Complex with Clioquinol:
1.14.11.16;

The structure of Factor Inhibiting Hif-1 Alpha in Complex with Clioquinol, PDB code: 3kcx was solved by H.Moon, S.Han, J.Choe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.82 / 2.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	86.746, 86.746, 146.525, 90.00, 90.00, 90.00
R / Rfree (%)	24.4 / 29.2

The structure of Factor Inhibiting Hif-1 Alpha in Complex with Clioquinol also contains other interesting chemical elements:

Iodine	(I)	1 atom
Iron	(Fe)	1 atom

The binding sites of Chlorine atom in the Factor Inhibiting Hif-1 Alpha in Complex with Clioquinol (pdb code 3kcx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Factor Inhibiting Hif-1 Alpha in Complex with Clioquinol, PDB code: 3kcx:

Chlorine binding site 1 out of 1 in the Factor Inhibiting Hif-1 Alpha in Complex with Clioquinol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Factor Inhibiting Hif-1 Alpha in Complex with Clioquinol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:0.1 occ:1.00 CLAB A:CQL1 0.0 0.1 1.0 CAI A:CQL1 1.8 0.6 1.0 CAL A:CQL1 2.8 0.5 1.0 CAG A:CQL1 2.8 0.0 1.0 CAF A:CQL1 2.9 0.3 1.0 CD2 A:LEU188 3.4 61.9 1.0 OH A:TYR145 3.5 87.0 1.0 OG1 A:THR196 3.6 48.0 1.0 NZ A:LYS214 3.7 49.1 1.0 CG2 A:ILE281 3.8 41.0 1.0 CAM A:CQL1 4.1 0.9 1.0 CAK A:CQL1 4.1 0.2 1.0 CB A:THR196 4.2 45.9 1.0 CB A:ILE281 4.2 40.6 1.0 CZ A:TYR145 4.2 86.5 1.0 CAD A:CQL1 4.3 0.4 1.0 CE2 A:PHE207 4.4 37.9 1.0 CD1 A:ILE281 4.4 44.1 1.0 CG2 A:THR196 4.5 45.6 1.0 CE A:LYS214 4.6 46.5 1.0 CAJ A:CQL1 4.6 0.9 1.0 CE2 A:TYR145 4.8 86.2 1.0 CZ A:PHE207 4.8 39.7 1.0 CG A:LEU188 4.9 63.3 1.0 CG1 A:ILE281 4.9 42.1 1.0 CE1 A:TYR145 4.9 86.5 1.0

H.Moon, S.Han, H.Park, J.Choe. Crystal Structures of Human Fih-1 in Complex with Quinol Family Inhibitors Mol.Cells V. 29 471 2010.
ISSN: ISSN 1016-8478
PubMed: 20396966
DOI: 10.1007/S10059-010-0058-3