Chlorine in PDB 4hur: Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A

The structure of Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A, PDB code: 4hur was solved by P.J.Stogios, G.Minasov, E.Evdokimova, Z.Wawrzak, V.Yim, M.Krishnamoorthy, R.Di Leo, P.Courvalin, A.Savchenko, W.F.Anderson, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.18 / 2.15
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	92.910, 184.545, 98.997, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20.2

The structure of Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A (pdb code 4hur). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A, PDB code: 4hur:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:69.0 occ:1.00 O B:HOH597 2.7 76.3 1.0 N B:ASP118 3.2 40.7 1.0 NZ B:LYS138 3.4 56.5 1.0 CA B:GLY117 3.7 44.1 1.0 C B:GLY117 3.9 42.3 1.0 CG B:ASP118 3.9 44.9 1.0 OD2 B:ASP118 3.9 49.6 1.0 CB B:ASP118 4.0 36.5 1.0 CA B:ASP118 4.1 36.5 1.0 OE1 B:GLU120 4.3 66.8 1.0 CE B:LYS138 4.4 54.9 1.0 OD1 B:ASP118 4.4 45.2 1.0 O B:ASP118 4.6 34.7 1.0 C B:ASP118 4.9 33.2 1.0 O B:LYS116 4.9 44.1 1.0 N B:GLY117 5.0 46.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Streptogramin Group A Antibiotic Acetyltransferase Vata From Staphylococcus Aureus in Complex with Acetyl Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl309 b:78.1 occ:1.00 O A:HOH593 2.9 85.5 1.0 O B:HOH520 2.9 75.7 1.0 N B:TYR57 3.1 33.4 1.0 O B:HOH557 3.4 84.7 1.0 CA B:LEU56 3.8 28.1 1.0 CB B:LEU56 3.8 30.0 1.0 C B:LEU56 4.0 27.4 1.0 CA B:TYR57 4.0 35.5 1.0 O B:HOH436 4.2 34.8 1.0 CD2 B:LEU56 4.2 36.4 1.0 CG B:TYR57 4.2 33.6 1.0 CD1 B:TYR57 4.3 32.6 1.0 CD2 B:TYR57 4.3 35.3 1.0 CE1 B:TYR57 4.5 37.4 1.0 CE2 B:TYR57 4.5 35.1 1.0 O A:HOH519 4.6 65.6 1.0 CG B:LEU56 4.6 34.8 1.0 CZ B:TYR57 4.6 38.4 1.0 O A:HOH535 4.7 69.7 1.0 CB B:TYR57 4.7 32.9 1.0 OH B:TYR59 4.9 66.9 1.0

P.J.Stogios, M.L.Kuhn, E.Evdokimova, P.Courvalin, W.F.Anderson, A.Savchenko. Potential For Reduction of Streptogramin A Resistance Revealed By Structural Analysis of Acetyltransferase Vata. Antimicrob.Agents Chemother. V. 58 7083 2014.
ISSN: ISSN 0066-4804
PubMed: 25223995
DOI: 10.1128/AAC.03743-14