Chlorine in PDB 6b82: Zebra Fish Cyp-450 17A1 Mutant Abiraterone Complex

The structure of Zebra Fish Cyp-450 17A1 Mutant Abiraterone Complex, PDB code: 6b82 was solved by P.S.Pallan, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.26 / 3.03
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.920, 104.920, 235.000, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 25.5

The structure of Zebra Fish Cyp-450 17A1 Mutant Abiraterone Complex also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Zebra Fish Cyp-450 17A1 Mutant Abiraterone Complex (pdb code 6b82). 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 Zebra Fish Cyp-450 17A1 Mutant Abiraterone Complex, PDB code: 6b82:

Chlorine binding site 1 out of 1 in the Zebra Fish Cyp-450 17A1 Mutant Abiraterone Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Zebra Fish Cyp-450 17A1 Mutant Abiraterone Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl603 b:94.1 occ:1.00 NH2 B:ARG358 3.0 0.8 1.0 NH1 B:ARG358 3.8 0.8 1.0 CZ B:ARG358 3.8 0.5 1.0 CE B:LYS460 4.3 78.0 1.0 CD B:LYS460 4.4 68.9 1.0 SG B:CYS369 4.6 63.1 1.0 CG B:LYS460 4.7 66.2 1.0 OE2 B:GLU365 4.8 0.5 1.0 NZ B:LYS460 4.9 84.6 1.0

E.Gonzalez, K.M.Johnson, P.S.Pallan, T.T.N.Phan, W.Zhang, L.Lei, Z.Wawrzak, F.K.Yoshimoto, M.Egli, F.P.Guengerich. Inherent Steroid 17 Alpha ,20-Lyase Activity in Defunct Cytochrome P450 17A Enzymes. J. Biol. Chem. V. 293 541 2018.
ISSN: ESSN 1083-351X
PubMed: 29212707
DOI: 10.1074/JBC.RA117.000504