Chlorine in PDB 2vb8: Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin

All present enzymatic activity of Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin:
2.3.1.41;

The structure of Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin, PDB code: 2vb8 was solved by G.Pappenberger, T.Schulz-Gasch, J.Bailly, M.Hennig, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	119.52 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.139, 138.345, 211.968, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 18.5

The binding sites of Chlorine atom in the Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin (pdb code 2vb8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin, PDB code: 2vb8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1406 b:45.6 occ:1.00 O A:HOH2614 3.3 45.5 1.0 ND1 A:HIS352 3.4 19.1 1.0 NH2 A:ARG27 3.4 24.6 1.0 NH1 A:ARG27 3.7 26.5 1.0 CZ A:ARG27 4.0 23.8 1.0 CE1 A:HIS352 4.1 15.8 1.0 CG A:HIS352 4.4 16.0 1.0 CB A:HIS352 4.7 13.6 1.0 O A:HOH2610 4.9 61.5 1.0

Chlorine binding site 2 out of 2 in the Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Beta-Ketoacyl-Acp Synthase I (Kas) From E. Coli with Bound Inhibitor Thiolactomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1406 b:39.0 occ:1.00 O B:HOH2015 3.3 50.9 1.0 ND1 B:HIS352 3.4 11.9 1.0 NH2 B:ARG27 3.5 22.1 1.0 O B:HOH2588 3.6 37.7 1.0 NH1 B:ARG27 3.7 18.5 1.0 CZ B:ARG27 4.1 17.3 1.0 O B:HOH2103 4.2 50.5 1.0 CE1 B:HIS352 4.2 15.0 1.0 CG B:HIS352 4.4 9.2 1.0 CB B:HIS352 4.7 10.6 1.0 O B:HOH2581 5.0 56.8 1.0

G.Pappenberger, T.Schulz-Gasch, E.Kusznir, F.Mueller, M.Hennig. Structure-Assisted Discovery of An Aminothiazole Derivative As A Lead Molecule For Inhibition of Bacterial Fatty-Acid Synthesis. Acta Crystallogr.,Sect.D V. 63 1208 2007.
ISSN: ISSN 0907-4449
PubMed: 18084068
DOI: 10.1107/S0907444907049852