Chlorine in PDB 6kvs: Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1

All present enzymatic activity of Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1:
2.3.1.180;

The structure of Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1, PDB code: 6kvs was solved by Y.Yuan, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.14 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.754, 91.573, 109.811, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 26.2

The binding sites of Chlorine atom in the Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1 (pdb code 6kvs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1, PDB code: 6kvs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:79.2 occ:1.00 CL1 A:OAX701 0.0 79.2 1.0 C12 A:OAX701 1.8 50.0 1.0 C16 A:OAX701 2.7 43.0 1.0 C13 A:OAX701 2.8 48.0 1.0 CD1 A:ILE557 3.5 24.0 1.0 C15 A:OAX701 4.0 39.3 1.0 C14 A:OAX701 4.1 41.1 1.0 OD1 A:ASN554 4.3 33.5 1.0 CG1 A:VAL519 4.3 19.8 1.0 CB A:ASN554 4.4 32.6 1.0 C11 A:OAX701 4.6 33.6 1.0 CG A:ASN554 4.7 32.0 1.0 CG1 A:ILE557 4.8 23.8 1.0 CA A:PHE520 4.8 25.5 1.0 N A:PHE520 4.9 21.1 1.0

Chlorine binding site 2 out of 2 in the Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Staphylococcus Aureus Fabh with Covalent Inhibitor OXA1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:58.3 occ:1.00 CL1 B:OAX701 0.0 58.3 1.0 C12 B:OAX701 1.8 44.6 1.0 C13 B:OAX701 2.6 40.2 1.0 C16 B:OAX701 2.8 44.0 1.0 CD1 B:ILE557 3.5 39.7 1.0 CB B:ASN554 3.9 37.1 1.0 C14 B:OAX701 3.9 38.2 1.0 C15 B:OAX701 4.1 41.0 1.0 CB B:ALA553 4.2 34.3 1.0 CZ B:PHE611 4.3 29.9 1.0 C11 B:OAX701 4.5 36.8 1.0 CE1 B:PHE611 4.5 28.4 1.0 OD1 B:ASN554 4.6 33.8 1.0 CG B:ASN554 4.6 36.6 1.0 CG1 B:VAL519 4.7 27.9 1.0 C B:ALA553 4.8 33.7 1.0 CG1 B:ILE557 4.8 38.7 1.0 N B:ASN554 4.8 33.3 1.0 CA B:ASN554 5.0 35.3 1.0

X.Qiu, A.E.Choudhry. Crystal Structure of S. Aureus Fabh, Beta-Ketoacyl Carrier Protein Synthase To Be Published.