Chlorine in PDB 4z8d: Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping

All present enzymatic activity of Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping:
2.3.1.180;

The structure of Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping, PDB code: 4z8d was solved by S.D.Lahiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.74 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.370, 79.496, 120.530, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 21.5

The binding sites of Chlorine atom in the Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping (pdb code 4z8d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping, PDB code: 4z8d:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:21.1 occ:1.00 CL1 A:4LB401 0.0 21.1 1.0 C4 A:4LB401 1.7 18.6 1.0 C3 A:4LB401 2.7 18.7 1.0 C5 A:4LB401 2.7 17.6 1.0 C7 A:4LB401 3.0 17.7 1.0 O A:HOH662 3.1 30.5 1.0 CB A:ALA216 3.5 9.4 1.0 CB A:ALA246 3.6 13.7 1.0 CD1 A:PHE304 3.8 10.1 1.0 C2 A:4LB401 4.0 16.3 1.0 O A:PHE304 4.0 10.9 1.0 CD1 A:ILE250 4.0 11.9 1.0 C6 A:4LB401 4.0 17.5 1.0 CB A:PHE304 4.2 10.4 1.0 CD2 A:HIS244 4.4 18.7 1.0 CG A:PHE304 4.4 9.9 1.0 O8 A:4LB401 4.4 18.9 1.0 C1 A:4LB401 4.5 17.8 1.0 C A:PHE304 4.7 9.9 1.0 CE1 A:PHE304 4.7 10.2 1.0 CG1 A:VAL212 4.7 13.6 1.0 O A:HOH632 4.7 21.1 1.0 NE2 A:HIS244 4.9 19.1 1.0 CA A:ALA216 5.0 9.6 1.0

Chlorine binding site 2 out of 2 in the Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Antibacterial Fabh Inhibitors with Validated Mode of Action in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:28.5 occ:1.00 CL1 B:4LB401 0.0 28.5 1.0 C4 B:4LB401 1.8 25.9 1.0 C3 B:4LB401 2.7 24.3 1.0 C5 B:4LB401 2.8 24.9 1.0 C7 B:4LB401 3.1 23.6 1.0 CB B:ALA246 3.6 18.2 1.0 CD1 B:PHE304 3.6 19.2 1.0 CB B:ALA216 3.7 14.1 1.0 C2 B:4LB401 4.0 23.5 1.0 C6 B:4LB401 4.0 25.6 1.0 CD2 B:HIS244 4.1 21.8 1.0 O B:PHE304 4.2 15.1 1.0 CD1 B:ILE250 4.2 12.4 1.0 CB B:PHE304 4.4 15.5 1.0 CG B:PHE304 4.4 18.2 1.0 CE1 B:PHE304 4.4 19.4 1.0 O8 B:4LB401 4.5 24.7 1.0 C1 B:4LB401 4.5 24.4 1.0 C B:PHE304 4.8 14.0 1.0 NE2 B:HIS244 4.8 22.6 1.0 O B:HOH573 4.8 25.2 1.0

D.C.Mckinney, C.J.Eyermann, R.F.Gu, J.Hu, S.L.Kazmirski, S.D.Lahiri, A.R.Mckenzie, A.B.Shapiro, G.Breault. Antibacterial Fabh Inhibitors with Mode of Action Validated in Haemophilus Influenzae By in Vitro Resistance Mutation Mapping. Acs Infect Dis. V. 2 456 2016.
ISSN: ESSN 2373-8227
PubMed: 27626097
DOI: 10.1021/ACSINFECDIS.6B00053