Chlorine in PDB 8v4j: Phosphoheptose Isomerase Gmha From Burkholderia Pseudomallei Bound to Inhibitor MUT148233

The structure of Phosphoheptose Isomerase Gmha From Burkholderia Pseudomallei Bound to Inhibitor MUT148233, PDB code: 8v4j was solved by M.S.Junop, C.Brown, R.Szabla, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.83 / 1.31
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	60.972, 60.972, 92.429, 90, 90, 90
R / Rfree (%)	16.1 / 17.3

The structure of Phosphoheptose Isomerase Gmha From Burkholderia Pseudomallei Bound to Inhibitor MUT148233 also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Phosphoheptose Isomerase Gmha From Burkholderia Pseudomallei Bound to Inhibitor MUT148233 (pdb code 8v4j). 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 Phosphoheptose Isomerase Gmha From Burkholderia Pseudomallei Bound to Inhibitor MUT148233, PDB code: 8v4j:

Chlorine binding site 1 out of 1 in the Phosphoheptose Isomerase Gmha From Burkholderia Pseudomallei Bound to Inhibitor MUT148233


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Phosphoheptose Isomerase Gmha From Burkholderia Pseudomallei Bound to Inhibitor MUT148233 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:17.3 occ:0.50 HZ3 A:LYS49 2.3 12.3 1.0 HD3 A:LYS49 3.1 14.0 1.0 NZ A:LYS49 3.1 10.2 1.0 O A:HOH368 3.3 19.2 1.0 O A:HOH469 3.3 26.9 0.5 HD21 A:ASN114 3.3 16.5 1.0 HD22 A:ASN114 3.5 16.5 1.0 HZ2 A:LYS49 3.5 12.3 1.0 HE3 A:LYS49 3.5 14.0 1.0 HZ1 A:LYS49 3.6 12.3 1.0 CE A:LYS49 3.7 11.6 1.0 O A:HOH394 3.7 13.7 1.0 ND2 A:ASN114 3.7 13.8 1.0 O A:HOH432 3.8 29.2 1.0 CD A:LYS49 3.8 11.6 1.0 HD2 A:LYS49 4.4 14.0 1.0 HG2 A:LYS49 4.5 13.2 1.0 HE2 A:LYS49 4.6 14.0 1.0 CG A:LYS49 4.8 11.0 1.0 HB3 A:LYS49 4.8 10.2 1.0 O A:LEU112 5.0 12.9 1.0

M.S.Junop, C.Brown, R.Szabla. Potentiating Activity of Gmha Inhibitors on Gram-Negative Bacteria To Be Published.