Chlorine in PDB 4n94: E. Coli Sliding Clamp in Complex with 3,4-Difluorobenzamide

All present enzymatic activity of E. Coli Sliding Clamp in Complex with 3,4-Difluorobenzamide:
2.7.7.7;

The structure of E. Coli Sliding Clamp in Complex with 3,4-Difluorobenzamide, PDB code: 4n94 was solved by Z.Yin, A.J.Oakley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.91 / 1.73
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	40.740, 64.510, 71.720, 74.01, 83.21, 84.54
R / Rfree (%)	24.9 / 29.3

The structure of E. Coli Sliding Clamp in Complex with 3,4-Difluorobenzamide also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the E. Coli Sliding Clamp in Complex with 3,4-Difluorobenzamide (pdb code 4n94). 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 E. Coli Sliding Clamp in Complex with 3,4-Difluorobenzamide, PDB code: 4n94:

Chlorine binding site 1 out of 1 in the E. Coli Sliding Clamp in Complex with 3,4-Difluorobenzamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Sliding Clamp in Complex with 3,4-Difluorobenzamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:40.6 occ:1.00 O A:HOH689 3.4 28.3 1.0 N A:ALA58 3.4 13.3 1.0 O A:HOH582 3.8 17.6 1.0 CB A:ALA58 3.9 14.5 1.0 CA A:VAL57 4.2 14.8 1.0 CA A:ALA58 4.2 14.1 1.0 C A:VAL57 4.3 13.4 1.0 CG1 A:VAL57 4.4 15.8 1.0 O A:ALA58 4.6 15.0 1.0 OD2 A:ASP229 4.9 24.0 1.0 CB A:VAL57 4.9 15.2 1.0 O A:ARG56 4.9 15.6 1.0 C A:ALA58 4.9 14.9 1.0

Z.Yin, L.R.Whittell, Y.Wang, S.Jergic, M.Liu, E.J.Harry, N.E.Dixon, J.L.Beck, M.J.Kelso, A.J.Oakley. Discovery of Lead Compounds Targeting the Bacterial Sliding Clamp Using A Fragment-Based Approach. J.Med.Chem. V. 57 2799 2014.
ISSN: ISSN 0022-2623
PubMed: 24592885
DOI: 10.1021/JM500122R