Chlorine in PDB 7f35: Crystal Structure of Anti S-Gatifloxacin Antibody Fab Fragment in Complex with S-Gatifloxacin

The structure of Crystal Structure of Anti S-Gatifloxacin Antibody Fab Fragment in Complex with S-Gatifloxacin, PDB code: 7f35 was solved by L.T.Wang, W.Y.Jiao, X.Shen, H.T.Lei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.64 / 2.60
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	184.071, 184.071, 100.66, 90, 90, 90
R / Rfree (%)	20 / 23.5

The structure of Crystal Structure of Anti S-Gatifloxacin Antibody Fab Fragment in Complex with S-Gatifloxacin also contains other interesting chemical elements:

Sodium	(Na)	8 atoms
Fluorine	(F)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Anti S-Gatifloxacin Antibody Fab Fragment in Complex with S-Gatifloxacin (pdb code 7f35). 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 Anti S-Gatifloxacin Antibody Fab Fragment in Complex with S-Gatifloxacin, PDB code: 7f35:

Chlorine binding site 1 out of 1 in the Crystal Structure of Anti S-Gatifloxacin Antibody Fab Fragment in Complex with S-Gatifloxacin


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 Anti S-Gatifloxacin Antibody Fab Fragment in Complex with S-Gatifloxacin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl309 b:88.9 occ:1.00 N C:TRP165 2.6 70.7 1.0 CA C:SER164 3.2 64.7 1.0 C C:SER164 3.3 67.7 1.0 O C:TRP165 3.4 68.8 1.0 CA C:TRP165 3.5 67.6 1.0 CE3 C:TRP165 3.6 74.9 1.0 CB C:TRP165 3.8 66.3 1.0 OG C:SER164 3.8 66.5 1.0 C C:TRP165 3.9 65.0 1.0 CB C:SER164 4.1 70.4 1.0 N C:SER164 4.3 69.7 1.0 O C:ASN163 4.4 72.2 1.0 CD2 C:TRP165 4.4 77.5 1.0 CZ3 C:TRP165 4.5 75.2 1.0 CG C:TRP165 4.5 77.4 1.0 O C:SER164 4.5 74.1 1.0 CG D:PRO170 4.6 67.3 1.0 C C:ASN163 4.7 70.8 1.0 CB D:PRO170 4.8 61.7 1.0

L.T.Wang, W.Xie, W.Y.Jiao, C.Zhang, X.Li, Z.Xu, X.Huang, H.T.Lei, X.Shen. Conformational Adaptability Determining Antibody Recognition to Distomer: Structure Analysis of Enantioselective Antibody Against Chiral Drug Gatifloxacin Rsc Adv V. 11 39534 2021.
ISSN: ESSN 2046-2069
DOI: 10.1039/D1RA07143B