Chlorine in PDB 3bhi: Crystal Structure of Human Carbonyl Reductase 1 in Complex with Nadp

All present enzymatic activity of Crystal Structure of Human Carbonyl Reductase 1 in Complex with Nadp:
1.1.1.184;

The structure of Crystal Structure of Human Carbonyl Reductase 1 in Complex with Nadp, PDB code: 3bhi was solved by D.Rauh, R.L.Bateman, K.M.Shokat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.56 / 2.27
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.662, 55.662, 169.880, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 28.2

The binding sites of Chlorine atom in the Crystal Structure of Human Carbonyl Reductase 1 in Complex with Nadp (pdb code 3bhi). 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 Human Carbonyl Reductase 1 in Complex with Nadp, PDB code: 3bhi:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human Carbonyl Reductase 1 in Complex with Nadp


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 Human Carbonyl Reductase 1 in Complex with Nadp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:21.5 occ:1.00 N A:ILE140 3.2 12.7 1.0 N A:GLY228 3.3 13.7 1.0 CB A:CYS226 3.4 16.7 1.0 C5N A:NAP309 3.5 10.0 1.0 CD A:PRO227 3.6 14.8 1.0 CA A:CYS226 3.6 15.8 1.0 O A:GLY228 3.6 12.4 1.0 N A:PRO227 3.7 14.6 1.0 CA A:SER139 3.8 12.2 1.0 CG2 A:ILE140 3.8 13.9 1.0 C A:CYS226 3.8 15.6 1.0 CB A:ILE140 3.9 14.6 1.0 CA A:GLY228 3.9 12.7 1.0 C A:SER139 4.0 12.2 1.0 C A:GLY228 4.0 13.5 1.0 OG A:SER139 4.1 13.8 1.0 CA A:ILE140 4.1 14.0 1.0 C4N A:NAP309 4.1 8.9 1.0 C A:PRO227 4.3 14.1 1.0 C6N A:NAP309 4.4 11.3 1.0 SG A:CYS226 4.4 20.3 1.0 CB A:SER139 4.4 10.4 1.0 CG A:PRO227 4.5 16.6 1.0 CA A:PRO227 4.5 15.4 1.0 O A:CYS226 4.7 15.9 1.0 N A:SER139 5.0 12.2 1.0

R.L.Bateman, D.Rauh, B.Tavshanjian, K.M.Shokat. Human Carbonyl Reductase 1 Is An S-Nitrosoglutathione Reductase J.Biol.Chem. V. 283 35756 2008.
ISSN: ISSN 0021-9258
PubMed: 18826943
DOI: 10.1074/JBC.M807125200