Chlorine in PDB 7q1x: Acetyltrasferase(3) Type Iiia in Complex with Neomycin B

All present enzymatic activity of Acetyltrasferase(3) Type Iiia in Complex with Neomycin B:
2.3.1.81;

The structure of Acetyltrasferase(3) Type Iiia in Complex with Neomycin B, PDB code: 7q1x 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)	46.90 / 1.45
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	89.279, 103.047, 65.244, 90, 90, 90
R / Rfree (%)	16.6 / 20.6

The binding sites of Chlorine atom in the Acetyltrasferase(3) Type Iiia in Complex with Neomycin B (pdb code 7q1x). 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 Neomycin B, PDB code: 7q1x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Acetyltrasferase(3) Type Iiia in Complex with Neomycin 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 Neomycin B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:28.9 occ:1.00 O A:HOH572 3.0 33.9 1.0 O A:HOH503 3.1 44.9 1.0 N A:VAL54 3.3 21.0 1.0 CA A:ASN123 3.6 33.1 1.0 N A:VAL125 3.6 27.9 1.0 CB A:VAL125 3.7 29.1 1.0 C A:ASN123 3.7 30.2 1.0 CG2 A:VAL125 3.8 31.0 1.0 N A:SER124 3.8 28.2 1.0 O A:ALA52 3.9 25.6 1.0 CG2 A:VAL54 3.9 25.0 1.0 CA A:SER53 3.9 22.6 1.0 CB A:VAL54 3.9 25.0 1.0 C A:SER53 4.1 25.8 1.0 O A:HOH468 4.2 51.7 1.0 CA A:VAL54 4.2 22.9 1.0 CA A:VAL125 4.2 33.6 1.0 O A:ASN123 4.3 42.5 1.0 ND2 A:ASN123 4.3 63.8 1.0 N A:ASN123 4.4 39.3 1.0 O A:HOH559 4.5 54.1 1.0 CB A:ASN123 4.5 40.5 1.0 C A:ALA52 4.6 28.1 1.0 C A:SER124 4.6 34.8 1.0 N A:SER53 4.7 24.2 1.0 CA A:SER124 4.7 41.0 1.0 CG1 A:VAL125 4.9 31.0 1.0 N A:LEU126 4.9 24.5 1.0 OG A:SER53 4.9 32.2 1.0 CG A:ASN123 4.9 61.3 1.0 CB A:SER53 4.9 29.7 1.0 O A:HOH636 4.9 58.3 1.0 O A:HOH504 5.0 47.5 1.0

Chlorine binding site 2 out of 2 in the Acetyltrasferase(3) Type Iiia in Complex with Neomycin 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 Neomycin B within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl607 b:38.5 occ:1.00 O B:HOH862 3.1 39.2 1.0 O B:HOH869 3.1 42.8 1.0 N B:VAL54 3.3 22.8 1.0 CB B:VAL125 3.6 47.9 1.0 N B:VAL125 3.7 37.0 1.0 O B:ALA52 3.8 27.2 1.0 CG2 B:VAL125 3.9 45.2 1.0 CG2 B:VAL54 3.9 31.9 1.0 CA B:ASN123 3.9 43.8 1.0 CA B:SER53 3.9 25.5 1.0 CB B:VAL54 4.0 28.9 1.0 C B:ASN123 4.0 54.8 1.0 N B:SER124 4.0 45.1 1.0 C B:SER53 4.1 23.3 1.0 CA B:VAL125 4.3 32.7 1.0 CA B:VAL54 4.3 23.8 1.0 O B:HOH701 4.4 63.5 1.0 C B:ALA52 4.5 27.1 1.0 OD1 B:ASN123 4.6 83.8 1.0 O B:ASN123 4.6 64.3 1.0 N B:SER53 4.7 25.0 1.0 C B:SER124 4.7 68.9 1.0 CG1 B:VAL125 4.7 32.3 1.0 N B:ASN123 4.8 90.5 1.0 CA B:SER124 4.8 99.6 1.0 N B:LEU126 4.8 25.7 1.0 CB B:ASN123 4.9 50.3 1.0 CB B:SER53 5.0 38.2 1.0 CG B:ASN123 5.0 74.2 1.0

N.Pontillo, E.M.Warszawik, M.Partipilo, A.Stetsenko, M.Loznik, X.Yang, D.J.Slotboom, A.Guskov, A.Herrmann. The 3-N-Alkylation of the Neomycin B Outmaneuvers the Aminoglycoside Resistant Enzyme Acetyltransferase(3)Iiia Via An Unexpected Mechanism To Be Published.