Chlorine in PDB 1pnv: Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and Vancomycin

The structure of Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and Vancomycin, PDB code: 1pnv was solved by A.M.Mulichak, H.C.Losey, W.Lu, Z.Wawrzak, C.T.Walsh, R.M.Garavito, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.170, 153.170, 100.640, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 26.9

The binding sites of Chlorine atom in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and Vancomycin (pdb code 1pnv). 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 Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and Vancomycin, PDB code: 1pnv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and Vancomycin


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 Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and Vancomycin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:57.4 occ:1.00 CL C:OMZ2 0.0 57.4 1.0 CE1 C:OMZ2 1.7 53.6 1.0 CD1 C:OMZ2 2.7 54.2 1.0 CZ C:OMZ2 2.8 53.4 1.0 OH C:OMZ2 3.0 52.9 1.0 CD2 B:TYR169 3.4 58.8 1.0 CE2 B:TYR169 3.7 59.1 1.0 OH B:TYR173 3.8 65.3 1.0 C5 C:GHP4 3.8 51.9 1.0 C6 C:GHP4 3.8 49.4 1.0 CE1 B:TYR173 3.9 61.6 1.0 CG C:OMZ2 4.0 54.7 1.0 CE2 C:OMZ2 4.1 53.2 1.0 C6 C:BGC8 4.1 60.9 1.0 CZ B:TYR173 4.1 63.4 1.0 CD2 B:LEU102 4.2 47.4 1.0 O B:HOH2014 4.3 60.4 1.0 CG B:TYR141 4.4 59.6 1.0 O5 C:BGC8 4.4 57.0 1.0 CD2 B:TYR141 4.5 57.4 1.0 CG B:TYR169 4.5 59.0 1.0 CD2 C:OMZ2 4.5 53.3 1.0 CB B:TYR141 4.6 61.3 1.0 O6 C:BGC8 4.7 63.6 1.0 CD1 B:TYR141 4.8 60.9 1.0 C4 C:GHP4 4.9 53.8 1.0 C1 C:GHP4 4.9 50.9 1.0 CD1 B:TYR173 4.9 58.4 1.0 C5 C:BGC8 4.9 59.1 1.0 O C:OMZ2 4.9 55.8 1.0 CE2 B:TYR141 4.9 59.1 1.0 CZ B:TYR169 5.0 60.9 1.0 CB B:TYR169 5.0 58.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and Vancomycin


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 Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and Vancomycin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl6 b:50.6 occ:1.00 CL C:OMY6 0.0 50.6 1.0 CE1 C:OMY6 1.7 48.0 1.0 CD1 C:OMY6 2.7 49.2 1.0 CZ C:OMY6 2.8 50.5 1.0 OCZ C:OMY6 3.1 52.1 1.0 C5A C:RER9 3.3 55.8 1.0 C3 C:GHP4 3.4 52.9 1.0 C5 C:RER9 3.5 57.1 1.0 C4 C:RER9 3.6 57.9 1.0 C2 C:GHP4 3.8 51.9 1.0 CG C:OMY6 4.0 48.8 1.0 CE2 C:OMY6 4.1 48.8 1.0 C4 C:GHP4 4.1 53.8 1.0 C3A C:RER9 4.4 58.9 1.0 O4 C:RER9 4.4 58.1 1.0 O4 C:GHP4 4.5 56.0 1.0 CD2 C:OMY6 4.5 48.6 1.0 C3 C:RER9 4.6 59.0 1.0 C1 C:GHP4 4.8 50.9 1.0 O C:HOH2002 4.8 46.4 1.0 O C:GHP4 4.9 45.5 1.0 O5 C:RER9 4.9 58.9 1.0

A.M.Mulichak, H.C.Losey, W.Lu, Z.Wawrzak, C.T.Walsh, R.M.Garavito. Structure of the Tdp-Epi-Vancosaminyltransferase Gtfa From the Chloroeremomycin Biosynthetic Pathway. Proc.Natl.Acad.Sci.Usa V. 100 9238 2003.
ISSN: ISSN 0027-8424
PubMed: 12874381
DOI: 10.1073/PNAS.1233577100