Chlorine in PDB 7met: A. Baumannii Msba in Complex with TBT1 Decoupler

All present enzymatic activity of A. Baumannii Msba in Complex with TBT1 Decoupler:
7.5.2.6;

The binding sites of Chlorine atom in the A. Baumannii Msba in Complex with TBT1 Decoupler (pdb code 7met). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the A. Baumannii Msba in Complex with TBT1 Decoupler, PDB code: 7met:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the A. Baumannii Msba in Complex with TBT1 Decoupler


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of A. Baumannii Msba in Complex with TBT1 Decoupler within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:29.5 occ:1.00 CL01 A:Z5G601 0.0 29.5 1.0 C02 A:Z5G601 1.8 29.5 1.0 C03 A:Z5G601 2.7 29.5 1.0 C07 A:Z5G601 2.7 29.5 1.0 CG2 A:VAL69 3.4 49.7 1.0 C04 A:Z5G601 4.0 29.5 1.0 C06 A:Z5G601 4.0 29.5 1.0 CD2 A:LEU68 4.2 53.3 1.0 C05 A:Z5G601 4.5 29.5 1.0 NH1 A:ARG72 4.6 44.2 1.0 CB A:VAL69 4.7 49.7 1.0 CA A:VAL69 5.0 49.7 1.0 CG2 A:ILE65 5.0 55.7 1.0

Chlorine binding site 2 out of 2 in the A. Baumannii Msba in Complex with TBT1 Decoupler


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of A. Baumannii Msba in Complex with TBT1 Decoupler within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:30.2 occ:1.00 CL01 A:Z5G602 0.0 30.2 1.0 C02 A:Z5G602 1.8 30.2 1.0 C07 A:Z5G602 2.7 30.2 1.0 C03 A:Z5G602 2.8 30.2 1.0 CG1 A:VAL292 3.3 38.2 1.0 CG A:MET253 3.3 49.7 1.0 CB A:MET253 3.5 49.7 1.0 CB A:VAL292 3.7 38.2 1.0 C06 A:Z5G602 4.0 30.2 1.0 C04 A:Z5G602 4.0 30.2 1.0 NE2 A:GLN250 4.2 41.7 1.0 CG2 A:VAL292 4.2 38.2 1.0 CD A:GLN250 4.4 41.7 1.0 C05 A:Z5G602 4.5 30.2 1.0 OE1 A:GLN250 4.7 41.7 1.0 CA A:GLN250 4.8 41.7 1.0 CA A:MET253 4.9 49.7 1.0 O A:GLN250 4.9 41.7 1.0 SD A:MET253 4.9 49.7 1.0 O A:VAL249 4.9 41.8 1.0

F.A.Thelot, W.Zhang, K.Song, C.Xu, J.Huang, M.Liao. Distinct Allosteric Mechanisms of First-Generation Msba Inhibitors. Science 2021.
ISSN: ESSN 1095-9203
PubMed: 34554829
DOI: 10.1126/SCIENCE.ABI9009