Chlorine in PDB 7q10: Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B

All present enzymatic activity of Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B:
2.3.1.81;

The structure of Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B, PDB code: 7q10 was solved by N.Pontillo, A.Guskov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	54.72 / 1.82
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.004, 103.122, 64.555, 90, 90, 90
R / Rfree (%)	19.5 / 23.3

The binding sites of Chlorine atom in the Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B (pdb code 7q10). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B, PDB code: 7q10:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1807 b:29.4 occ:1.00 O A:HOH2059 3.1 26.8 1.0 N A:VAL54 3.2 20.0 1.0 O A:HOH2050 3.2 33.3 1.0 O A:HOH2100 3.3 36.7 0.9 CA A:ASN123 3.6 28.3 1.0 N A:VAL125 3.6 28.4 1.0 CG2 A:VAL125 3.6 30.4 1.0 CB A:VAL125 3.7 30.2 1.0 C A:ASN123 3.7 28.0 1.0 N A:SER124 3.8 28.7 1.0 CG2 A:VAL54 3.8 26.4 1.0 O A:ALA52 3.8 23.9 1.0 CB A:VAL54 3.8 28.4 1.0 CA A:SER53 3.9 28.4 1.0 C A:SER53 4.0 26.4 1.0 CA A:VAL54 4.1 25.8 1.0 O A:HOH2018 4.3 39.7 1.0 CA A:VAL125 4.3 29.6 1.0 O A:HOH1907 4.3 31.6 1.0 O A:ASN123 4.3 28.6 1.0 N A:ASN123 4.4 30.9 1.0 C A:ALA52 4.5 26.7 1.0 CB A:ASN123 4.6 32.1 1.0 C A:SER124 4.6 32.4 1.0 N A:SER53 4.7 25.0 1.0 OD1 A:ASN123 4.7 39.4 1.0 CA A:SER124 4.7 28.2 0.5 CA A:SER124 4.7 28.3 0.5 O A:HOH2131 4.8 40.2 1.0 CB A:SER53 4.9 26.2 1.0 N A:LEU126 4.9 28.2 1.0 OG A:SER53 4.9 27.0 1.0

Chlorine binding site 2 out of 2 in the Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Acetyltrasferase(3) Type Iiia in Complex with 3-N-Methyl-Nemycin B within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl706 b:38.2 occ:1.00 O B:HOH966 2.9 38.2 1.0 O B:HOH964 3.2 31.4 1.0 N B:VAL54 3.3 28.1 1.0 CA B:ASN123 3.7 46.1 1.0 CG2 B:VAL54 3.8 27.6 1.0 N B:VAL125 3.8 34.6 1.0 CB B:VAL125 3.8 34.4 1.0 N B:SER124 3.9 37.9 1.0 O B:ALA52 3.9 26.6 1.0 CG2 B:VAL125 3.9 38.0 1.0 CB B:VAL54 3.9 29.8 1.0 C B:ASN123 3.9 48.0 1.0 CA B:SER53 3.9 31.0 1.0 C B:SER53 4.1 27.3 1.0 O B:HOH813 4.1 50.0 1.0 CA B:VAL54 4.2 23.7 1.0 OD1 B:ASN123 4.4 53.4 1.0 CA B:VAL125 4.5 34.6 1.0 O B:HOH956 4.5 51.0 1.0 N B:ASN123 4.5 51.2 1.0 C B:ALA52 4.6 31.2 1.0 CB B:ASN123 4.7 45.3 1.0 O B:ASN123 4.7 48.1 1.0 N B:SER53 4.7 24.2 1.0 C B:SER124 4.8 34.6 1.0 CA B:SER124 4.8 42.0 1.0 CB B:SER53 4.9 32.1 1.0 CG B:ASN123 5.0 50.5 1.0

N.Pontillo, E.M.Warszawik, M.Partipilo, A.Stetsenko, M.Loznik, X.Yang, D.J.Slotboom, A.Guskov, A.Herrmann. 3-N-Alkylation in Aminoglycoside Antibiotic Neomycin B Overcomes Bacterial Resistance Mediated By Acetyltransferase (3) Iiia To Be Published.