Chlorine in PDB 4zqd: Crystal Structure of the Heterodimeric Hif-2A:Arnt Complex with the Benzoxadiazole Antagonist 0X3

The structure of Crystal Structure of the Heterodimeric Hif-2A:Arnt Complex with the Benzoxadiazole Antagonist 0X3, PDB code: 4zqd was solved by D.Wu, N.Potluri, J.Lu, Y.Kim, F.Rastinejad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 2.87
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	49.123, 76.334, 97.985, 89.91, 89.99, 73.18
R / Rfree (%)	21.2 / 25.4

The structure of Crystal Structure of the Heterodimeric Hif-2A:Arnt Complex with the Benzoxadiazole Antagonist 0X3 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Heterodimeric Hif-2A:Arnt Complex with the Benzoxadiazole Antagonist 0X3 (pdb code 4zqd). 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 Crystal Structure of the Heterodimeric Hif-2A:Arnt Complex with the Benzoxadiazole Antagonist 0X3, PDB code: 4zqd:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Heterodimeric Hif-2A:Arnt Complex with the Benzoxadiazole Antagonist 0X3


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 the Heterodimeric Hif-2A:Arnt Complex with the Benzoxadiazole Antagonist 0X3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:0.2 occ:1.00 CL1 B:0X3401 0.0 0.2 1.0 CAH B:0X3401 1.7 78.5 1.0 CAG B:0X3401 2.7 59.9 1.0 CAI B:0X3401 2.7 96.9 1.0 CE1 B:TYR281 3.0 0.8 1.0 O B:ALA277 3.0 66.8 1.0 CZ B:TYR281 3.0 0.1 1.0 OH B:TYR281 3.1 0.6 1.0 CB B:ALA277 3.5 50.3 1.0 C B:ALA277 3.7 60.6 1.0 CA B:ALA277 3.7 60.1 1.0 CD1 B:TYR281 3.8 0.2 1.0 CB B:PHE280 3.8 76.7 1.0 CE2 B:TYR281 3.9 0.3 1.0 CAQ B:0X3401 4.0 0.2 1.0 CAO B:0X3401 4.0 58.1 1.0 CG B:MET309 4.1 72.3 1.0 CD1 B:PHE280 4.4 71.5 1.0 CZ B:PHE254 4.4 75.6 1.0 SD B:MET309 4.5 0.6 1.0 CAP B:0X3401 4.5 74.4 1.0 CG B:PHE280 4.5 73.2 1.0 CA B:PHE280 4.5 86.6 1.0 CD2 B:TYR281 4.5 0.7 1.0 CG B:TYR281 4.6 0.1 1.0 C B:PHE280 4.6 0.2 1.0 N B:TYR281 4.7 0.5 1.0 N B:PHE280 4.7 78.7 1.0 CE1 B:PHE254 4.8 76.5 1.0 N B:TYR278 4.9 58.7 1.0 CB B:MET309 4.9 71.0 1.0 O B:PHE280 5.0 0.8 1.0

D.Wu, N.Potluri, J.Lu, Y.Kim, F.Rastinejad. Structural Integration in Hypoxia-Inducible Factors. Nature V. 524 303 2015.
ISSN: ESSN 1476-4687
PubMed: 26245371
DOI: 10.1038/NATURE14883