Chlorine in PDB 7mew: E. Coli Msba in Complex with G247

All present enzymatic activity of E. Coli Msba in Complex with G247:
7.5.2.6;

The structure of E. Coli Msba in Complex with G247 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the E. Coli Msba in Complex with G247 (pdb code 7mew). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the E. Coli Msba in Complex with G247, PDB code: 7mew:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the E. Coli Msba in Complex with G247


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Msba in Complex with G247 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:45.1 occ:1.00 CL28 A:Z5Y601 0.0 45.1 1.0 C26 A:Z5Y601 1.8 45.1 1.0 C27 A:Z5Y601 2.7 45.1 1.0 C25 A:Z5Y601 2.8 45.1 1.0 F30 A:Z5Y601 3.0 45.1 1.0 CD1 A:LEU294 3.3 44.0 1.0 CD2 A:LEU171 3.4 53.8 1.0 CE1 A:PHE157 3.6 44.1 1.0 CZ A:PHE157 3.9 44.1 1.0 CB A:LEU294 4.0 44.0 1.0 C22 A:Z5Y601 4.0 45.1 1.0 C24 A:Z5Y601 4.1 45.1 1.0 CD1 A:LEU171 4.2 53.8 1.0 CG A:LEU294 4.3 44.0 1.0 CG A:LEU171 4.4 53.8 1.0 CD1 A:LEU298 4.4 42.8 1.0 C23 A:Z5Y601 4.6 45.1 1.0 CD1 A:PHE157 4.8 44.1 1.0 SD A:MET291 4.9 51.1 1.0

Chlorine binding site 2 out of 4 in the E. Coli Msba in Complex with G247


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of E. Coli Msba in Complex with G247 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:45.1 occ:1.00 CL29 A:Z5Y601 0.0 45.1 1.0 C23 A:Z5Y601 1.8 45.1 1.0 C24 A:Z5Y601 2.8 45.1 1.0 C22 A:Z5Y601 2.8 45.1 1.0 C20 A:Z5Y601 3.1 45.1 1.0 CA A:ALA259 3.5 44.0 1.0 C21 A:Z5Y601 3.6 45.1 1.0 CB A:ALA259 3.6 44.0 1.0 O A:ALA259 3.7 44.0 1.0 C12 A:Z5Y601 3.7 45.1 1.0 CD2 A:LEU263 3.7 49.6 1.0 CB A:ALA262 3.8 47.5 1.0 C13 A:Z5Y601 3.9 45.1 1.0 C27 A:Z5Y601 4.0 45.1 1.0 C25 A:Z5Y601 4.1 45.1 1.0 C A:ALA259 4.1 44.0 1.0 C1 A:Z5Y601 4.2 45.1 1.0 C11 A:Z5Y601 4.3 45.1 1.0 O19 A:Z5Y601 4.4 45.1 1.0 C26 A:Z5Y601 4.6 45.1 1.0 N A:ALA259 4.8 44.0 1.0 C2 A:Z5Y601 4.8 45.1 1.0 CG1 A:VAL178 4.9 50.9 1.0

Chlorine binding site 3 out of 4 in the E. Coli Msba in Complex with G247


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of E. Coli Msba in Complex with G247 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:47.7 occ:1.00 CL28 B:Z5Y601 0.0 47.7 1.0 C26 B:Z5Y601 1.8 47.7 1.0 C25 B:Z5Y601 2.7 47.7 1.0 C27 B:Z5Y601 2.8 47.7 1.0 F30 B:Z5Y601 3.0 47.7 1.0 CD2 B:LEU171 3.4 56.1 1.0 CD2 B:LEU294 3.5 46.3 1.0 CB B:LEU294 3.6 46.3 1.0 CG B:LEU294 3.6 46.3 1.0 O B:MET291 3.8 56.0 1.0 CA B:MET291 4.0 56.0 1.0 C24 B:Z5Y601 4.0 47.7 1.0 C22 B:Z5Y601 4.1 47.7 1.0 SD B:MET291 4.2 56.0 1.0 CB B:MET291 4.3 56.0 1.0 C B:MET291 4.4 56.0 1.0 CG B:LEU171 4.5 56.1 1.0 C B:LEU294 4.5 46.3 1.0 C23 B:Z5Y601 4.6 47.7 1.0 CA B:LEU294 4.7 46.3 1.0 O B:LEU294 4.7 46.3 1.0 N B:MET295 4.8 48.1 1.0 CD1 B:LEU171 4.8 56.1 1.0 CG B:MET291 4.9 56.0 1.0

Chlorine binding site 4 out of 4 in the E. Coli Msba in Complex with G247


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of E. Coli Msba in Complex with G247 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:47.7 occ:1.00 CL29 B:Z5Y601 0.0 47.7 1.0 C23 B:Z5Y601 1.8 47.7 1.0 C22 B:Z5Y601 2.7 47.7 1.0 C24 B:Z5Y601 2.8 47.7 1.0 C20 B:Z5Y601 3.0 47.7 1.0 C12 B:Z5Y601 3.3 47.7 1.0 CA B:ALA259 3.4 43.7 1.0 CG1 B:VAL178 3.5 51.2 1.0 C1 B:Z5Y601 3.7 47.7 1.0 CB B:ALA259 3.7 43.7 1.0 CB B:ALA262 3.8 48.4 1.0 C21 B:Z5Y601 3.8 47.7 1.0 C11 B:Z5Y601 3.8 47.7 1.0 C13 B:Z5Y601 3.9 47.7 1.0 C27 B:Z5Y601 4.0 47.7 1.0 C25 B:Z5Y601 4.0 47.7 1.0 O19 B:Z5Y601 4.2 47.7 1.0 O B:ALA259 4.2 43.7 1.0 C2 B:Z5Y601 4.3 47.7 1.0 N B:ALA259 4.3 43.7 1.0 C B:ALA259 4.3 43.7 1.0 CG2 B:VAL178 4.4 51.2 1.0 CB B:VAL178 4.4 51.2 1.0 C6 B:Z5Y601 4.5 47.7 1.0 C26 B:Z5Y601 4.6 47.7 1.0 O B:ILE258 4.6 39.6 1.0 C10 B:Z5Y601 4.6 47.7 1.0 C B:ILE258 4.8 39.6 1.0 CD2 B:LEU263 5.0 53.1 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