Chlorine in PDB 6w7s: Ketoreductase From Module 1 of the 6-Deoxyerythronolide B Synthase (KR1) in Complex with Antibody Fragment (Fab) 2G10

The structure of Ketoreductase From Module 1 of the 6-Deoxyerythronolide B Synthase (KR1) in Complex with Antibody Fragment (Fab) 2G10, PDB code: 6w7s was solved by D.P.Cogan, I.I.Mathews, C.Khosla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.36 / 2.25
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	80.148, 129.532, 208.818, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 23.2

The binding sites of Chlorine atom in the Ketoreductase From Module 1 of the 6-Deoxyerythronolide B Synthase (KR1) in Complex with Antibody Fragment (Fab) 2G10 (pdb code 6w7s). 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 Ketoreductase From Module 1 of the 6-Deoxyerythronolide B Synthase (KR1) in Complex with Antibody Fragment (Fab) 2G10, PDB code: 6w7s:

Chlorine binding site 1 out of 1 in the Ketoreductase From Module 1 of the 6-Deoxyerythronolide B Synthase (KR1) in Complex with Antibody Fragment (Fab) 2G10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ketoreductase From Module 1 of the 6-Deoxyerythronolide B Synthase (KR1) in Complex with Antibody Fragment (Fab) 2G10 within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl301 b:71.0 occ:1.00 O L:THR123 3.6 33.4 1.0 OH L:TYR110 4.2 24.6 1.0 O L:GLY124 4.6 30.0 1.0 CA L:GLY124 4.7 28.5 1.0 C L:GLY124 4.8 30.8 1.0 C L:THR123 4.8 30.6 1.0 N H:GLY46 5.0 32.1 1.0 CA H:GLY46 5.0 24.9 1.0

D.P.Cogan, X.Li, N.Sevillano, I.I.Mathews, T.Matsui, C.S.Craik, C.Khosla. Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal An Extended Conformation During Ketoreduction. J.Am.Chem.Soc. V. 142 14933 2020.
ISSN: ESSN 1520-5126
PubMed: 32786753
DOI: 10.1021/JACS.0C05133