Chlorine in PDB 9b0c: Crystal Structure of GENB2 in Complex with Gentamicin X2.

The structure of Crystal Structure of GENB2 in Complex with Gentamicin X2., PDB code: 9b0c was solved by P.S.Bury, N.C.Araujo, G.S.Oliveira, M.V.B.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.64 / 1.66
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	75.407, 104.187, 104.653, 90, 90, 90
R / Rfree (%)	16.5 / 19.1

The binding sites of Chlorine atom in the Crystal Structure of GENB2 in Complex with Gentamicin X2. (pdb code 9b0c). 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 GENB2 in Complex with Gentamicin X2., PDB code: 9b0c:

Chlorine binding site 1 out of 1 in the Crystal Structure of GENB2 in Complex with Gentamicin X2.


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 GENB2 in Complex with Gentamicin X2. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:20.2 occ:0.50 O A:HOH740 3.0 24.7 1.0 O A:HOH706 3.2 16.2 1.0 OG1 A:THR98 3.5 16.3 1.0 CG2 A:THR98 3.8 15.6 1.0 CB A:ALA101 3.9 14.4 1.0 CB A:LYS97 4.2 13.9 1.0 CB A:THR98 4.2 14.3 1.0 N A:THR98 4.2 14.1 1.0 O A:HOH920 4.7 39.6 1.0 C A:LYS97 4.7 17.1 1.0 N A:LYS97 4.7 12.4 1.0 CA A:LYS97 4.7 13.9 1.0 CA A:THR98 4.9 12.9 1.0

G.S.Oliveira, P.Dos S Bury, F.Huang, Y.Li, N.C.Araujo, J.Zhou, Y.Sun, F.J.Leeper, P.F.Leadlay, M.V.B.Dias. Structural and Functional Basis of GENB2 Isomerase Activity From Gentamicin Biosynthesis. Acs Chem.Biol. 2024.
ISSN: ESSN 1554-8937
PubMed: 39207862
DOI: 10.1021/ACSCHEMBIO.4C00334