Chlorine in PDB 4dfb: Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")- Id/Aph(2")-Iva in Complex with Kanamycin

The structure of Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")- Id/Aph(2")-Iva in Complex with Kanamycin, PDB code: 4dfb was solved by P.J.Stogios, G.Minasov, J.Osipiuk, E.Evdokimova, E.Egorova, R.Di Leo, H.Li, A.Savchenko, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.17 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.669, 101.153, 71.701, 90.00, 98.33, 90.00
R / Rfree (%)	20.6 / 25.8

The binding sites of Chlorine atom in the Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")- Id/Aph(2")-Iva in Complex with Kanamycin (pdb code 4dfb). 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 Aminoglycoside Phosphotransferase Aph(2")- Id/Aph(2")-Iva in Complex with Kanamycin, PDB code: 4dfb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")- Id/Aph(2")-Iva in Complex with Kanamycin


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 Aminoglycoside Phosphotransferase Aph(2")- Id/Aph(2")-Iva in Complex with Kanamycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:17.0 occ:1.00 N A:ASP19 3.4 13.2 1.0 CD A:PRO18 3.5 12.2 1.0 CA A:TYR17 3.6 10.0 1.0 CB A:ASP19 3.6 29.7 1.0 C A:TYR17 3.7 18.4 1.0 N A:PRO18 3.7 13.8 1.0 CG A:ASP19 3.9 19.1 1.0 CA A:ASP19 4.0 10.9 1.0 CB A:TYR17 4.0 14.3 1.0 OD2 A:ASP19 4.0 34.6 1.0 N A:PHE20 4.1 19.7 1.0 O A:TYR17 4.3 8.3 1.0 CD1 A:TYR17 4.3 3.7 1.0 C A:PRO18 4.4 17.9 1.0 C A:ASP19 4.4 35.6 1.0 CA A:PRO18 4.6 23.6 1.0 CG A:TYR17 4.6 8.5 1.0 OD1 A:ASP19 4.7 29.5 1.0 O A:LEU16 4.7 13.2 1.0 CG A:PRO18 4.7 22.6 1.0 N A:TYR17 4.9 3.9 1.0 O A:HOH757 4.9 25.0 1.0 CB A:PRO18 5.0 11.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Aminoglycoside Phosphotransferase Aph(2")- Id/Aph(2")-Iva in Complex with Kanamycin


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 Aminoglycoside Phosphotransferase Aph(2")- Id/Aph(2")-Iva in Complex with Kanamycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:15.7 occ:1.00 O B:HOH531 2.9 14.8 1.0 O B:HOH530 3.1 12.2 1.0 N B:VAL78 3.2 8.2 1.0 CA B:GLU77 3.8 12.3 1.0 CG2 B:VAL78 3.9 7.6 1.0 CB B:VAL78 4.0 7.8 1.0 O B:LEU64 4.0 13.3 1.0 C B:GLU77 4.0 8.6 1.0 CB B:HIS68 4.1 11.8 1.0 C B:LEU64 4.1 28.5 1.0 CG B:LYS65 4.1 11.2 1.0 CA B:VAL78 4.1 8.5 1.0 N B:LYS65 4.2 10.9 1.0 CA B:LYS65 4.2 24.8 1.0 CB B:LEU64 4.2 7.2 1.0 O B:PRO76 4.3 9.6 1.0 CB B:GLU77 4.4 12.8 1.0 O B:VAL78 4.5 10.0 1.0 CB B:LYS65 4.7 17.9 1.0 CG B:GLU77 4.8 26.7 1.0 C B:VAL78 4.8 14.8 1.0 CA B:LEU64 4.8 16.3 1.0 NZ B:LYS65 4.9 21.1 1.0 CG B:HIS68 4.9 25.3 1.0 N B:GLU77 4.9 12.0 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