Chlorine in PDB 9au3: Crystal Structure of GENB2 in Complex with G418

The structure of Crystal Structure of GENB2 in Complex with G418, PDB code: 9au3 was solved by G.S.De Oliveira, P.S.Bury, F.Huang, Y.Li, N.C.Araujo, J.Zhou, Y.Sun, F.Leeper, P.Leadlay, M.V.B.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.18 / 1.35
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	75.142, 103.052, 104.133, 90, 90, 90
R / Rfree (%)	14 / 16.6

The binding sites of Chlorine atom in the Crystal Structure of GENB2 in Complex with G418 (pdb code 9au3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of GENB2 in Complex with G418, PDB code: 9au3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of GENB2 in Complex with G418


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 G418 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:19.0 occ:0.50 O A:HOH715 3.1 28.5 1.0 O A:HOH742 3.1 15.9 1.0 OG1 A:THR98 3.5 15.3 1.0 CG2 A:THR98 3.8 15.2 1.0 CB A:ALA101 3.8 14.3 1.0 CB A:THR98 4.2 14.7 1.0 CB A:LYS97 4.2 15.1 1.0 N A:THR98 4.3 13.6 1.0 C A:LYS97 4.7 14.2 1.0 N A:LYS97 4.8 13.4 1.0 CA A:LYS97 4.8 13.2 1.0 CA A:THR98 4.9 13.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of GENB2 in Complex with G418


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of GENB2 in Complex with G418 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:31.8 occ:1.00 N A:ALA26 3.2 19.3 1.0 O A:HOH688 3.5 30.3 1.0 CA A:GLY25 3.7 20.6 1.0 CB A:ALA26 3.8 21.2 1.0 C A:GLY25 3.9 19.7 1.0 CB A:CYS346 4.0 19.9 1.0 CD1 A:TYR27 4.0 26.0 1.0 CE1 A:TYR27 4.0 26.5 1.0 CA A:ALA26 4.1 19.6 1.0 SG A:CYS346 4.2 21.8 1.0 CG2 A:VAL351 4.3 21.5 1.0 O A:GLU24 4.5 21.9 1.0 O A:CYS346 4.7 19.9 1.0 N A:GLY25 4.8 21.6 1.0 O A:HOH668 4.9 39.4 1.0 C A:ALA26 5.0 19.2 1.0 N A:TYR27 5.0 20.8 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