Chlorine in PDB 4dfu: Inhibition of An Antibiotic Resistance Enzyme: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")-Id/Aph(2")-Iva in Complex with Kanamycin Inhibited with Quercetin

The structure of Inhibition of An Antibiotic Resistance Enzyme: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")-Id/Aph(2")-Iva in Complex with Kanamycin Inhibited with Quercetin, PDB code: 4dfu was solved by P.J.Stogios, G.Minasov, A.Dong, E.Evdokimova, E.Egorova, R.Di Leo, H.Li, T.Shakya, G.D.Wright, 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)	19.84 / 1.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.141, 101.814, 70.249, 90.00, 96.86, 90.00
R / Rfree (%)	21.9 / 27

The binding sites of Chlorine atom in the Inhibition of An Antibiotic Resistance Enzyme: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")-Id/Aph(2")-Iva in Complex with Kanamycin Inhibited with Quercetin (pdb code 4dfu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Inhibition of An Antibiotic Resistance Enzyme: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")-Id/Aph(2")-Iva in Complex with Kanamycin Inhibited with Quercetin, PDB code: 4dfu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Inhibition of An Antibiotic Resistance Enzyme: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")-Id/Aph(2")-Iva in Complex with Kanamycin Inhibited with Quercetin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inhibition of An Antibiotic Resistance Enzyme: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")-Id/Aph(2")-Iva in Complex with Kanamycin Inhibited with Quercetin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:64.3 occ:1.00 N A:ASP19 3.1 64.7 1.0 CB A:ASP19 3.4 66.2 1.0 C A:TYR17 3.4 62.4 1.0 CA A:TYR17 3.5 61.1 1.0 CD A:PRO18 3.5 65.0 1.0 N A:PRO18 3.5 64.1 1.0 CA A:ASP19 3.7 65.8 1.0 CG A:ASP19 3.8 67.3 1.0 OD2 A:ASP19 3.9 67.9 1.0 O A:TYR17 4.0 61.6 1.0 CB A:TYR17 4.0 59.6 1.0 CG A:PRO18 4.1 67.7 1.0 N A:PHE20 4.1 64.0 1.0 C A:PRO18 4.2 65.0 1.0 C A:ASP19 4.3 65.3 1.0 CD1 A:TYR17 4.4 58.6 1.0 CA A:PRO18 4.4 65.4 1.0 OD1 A:ASP19 4.6 68.1 1.0 O A:LEU16 4.6 60.8 1.0 N A:TYR17 4.7 60.9 1.0 CG A:TYR17 4.7 58.5 1.0 CB A:PRO18 4.9 67.8 1.0

Chlorine binding site 2 out of 2 in the Inhibition of An Antibiotic Resistance Enzyme: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")-Id/Aph(2")-Iva in Complex with Kanamycin Inhibited with Quercetin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inhibition of An Antibiotic Resistance Enzyme: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")-Id/Aph(2")-Iva in Complex with Kanamycin Inhibited with Quercetin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:86.1 occ:1.00 CD B:LYS113 3.5 69.8 1.0 OD1 B:ASN117 3.5 62.2 1.0 CG B:LYS113 3.9 66.7 1.0 NZ B:LYS247 3.9 67.6 1.0 ND2 B:ASN117 4.1 60.6 1.0 CG B:ASN117 4.2 60.9 1.0 CE B:LYS247 4.3 67.4 1.0 CE B:LYS113 4.8 71.3 1.0

T.Shakya, P.J.Stogios, N.Waglechner, E.Evdokimova, L.Ejim, J.E.Blanchard, A.G.Mcarthur, A.Savchenko, G.D.Wright. A Small Molecule Discrimination Map of the Antibiotic Resistance Kinome. Chem.Biol. V. 18 1591 2011.
ISSN: ISSN 1074-5521
PubMed: 22195561
DOI: 10.1016/J.CHEMBIOL.2011.10.018