Chlorine in PDB 9auy: Crystal Structure of S. Aureus Guab Dcbs with Inhibitor GNE9123

All present enzymatic activity of Crystal Structure of S. Aureus Guab Dcbs with Inhibitor GNE9123:
1.1.1.205;

The structure of Crystal Structure of S. Aureus Guab Dcbs with Inhibitor GNE9123, PDB code: 9auy was solved by S.F.Harris, P.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.14 / 1.94
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	104.279, 104.279, 63.903, 90, 90, 90
R / Rfree (%)	22.7 / 26.1

The binding sites of Chlorine atom in the Crystal Structure of S. Aureus Guab Dcbs with Inhibitor GNE9123 (pdb code 9auy). 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 S. Aureus Guab Dcbs with Inhibitor GNE9123, PDB code: 9auy:

Chlorine binding site 1 out of 1 in the Crystal Structure of S. Aureus Guab Dcbs with Inhibitor GNE9123


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 S. Aureus Guab Dcbs with Inhibitor GNE9123 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:55.5 occ:1.00 CL13 A:VOA802 0.0 55.5 1.0 C10 A:VOA802 1.7 52.5 1.0 N11 A:VOA802 2.7 49.1 1.0 C9 A:VOA802 2.7 49.9 1.0 CD2 A:HIS253 3.5 52.3 1.0 CB A:HIS253 3.9 48.6 1.0 C12 A:VOA802 3.9 51.7 1.0 C8 A:VOA802 4.0 51.3 1.0 CG A:HIS253 4.1 51.2 1.0 C7 A:VOA802 4.5 54.0 1.0 NE2 A:HIS253 4.8 51.7 1.0

E.M.Kofoed, I.Aliagas, T.Crawford, J.Mao, S.F.Harris, M.Xu, S.Wang, P.Wu, F.Ma, K.Clark, J.Sims, Y.Xu, Y.Peng, E.Skippington, Y.Yang, J.Reeder, S.Ubhayakar, M.Baumgardner, Z.Yan, J.Chen, S.Park, H.Zhang, C.-W.Yen, M.Lorenzo, N.Skelton, X.Liang, L.Chen, B.Hoag, C.S.Li, Z.Liu, J.Wai, X.Liu, J.Liang, M.W.Tan. Discovery of Guab Inhibitors with Efficacy Against Acinetobacter Baumannii Infection. Mbio V. 15 89724 2024.
ISSN: ESSN 2150-7511
PubMed: 39207111
DOI: 10.1128/MBIO.00897-24