Chlorine in PDB 1pn3: Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv.

The structure of Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv., PDB code: 1pn3 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 (°)	152.500, 152.500, 98.740, 90.00, 90.00, 120.00
R / Rfree (%)	21.2 / 24.9

The binding sites of Chlorine atom in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv. (pdb code 1pn3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv., PDB code: 1pn3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv.


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 the Acceptor Substrate Dvv. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl2 b:59.8 occ:0.80 CL C:OMZ2 0.0 59.8 0.8 CE1 C:OMZ2 1.7 59.6 0.8 CD1 C:OMZ2 2.7 60.1 0.8 CZ C:OMZ2 2.7 59.3 0.8 OH C:OMZ2 2.9 58.0 0.8 CD1 A:TYR169 3.1 56.9 1.0 OH A:TYR173 3.1 56.0 1.0 CZ A:TYR173 3.4 55.5 1.0 CE1 A:TYR169 3.4 56.2 1.0 CD2 A:LEU102 3.4 47.8 1.0 CE2 A:TYR173 3.5 55.5 1.0 C5 C:GHP4 3.9 57.6 0.8 CG C:OMZ2 4.0 60.4 0.8 C6 C:GHP4 4.0 56.4 0.8 CE2 C:OMZ2 4.0 60.8 0.8 CE1 A:TYR173 4.3 55.4 1.0 CG A:TYR169 4.3 58.2 1.0 CG A:LEU102 4.4 47.2 1.0 CD2 A:TYR173 4.5 55.0 1.0 CB A:LEU102 4.5 47.0 1.0 CB A:TYR141 4.5 64.0 1.0 CD2 C:OMZ2 4.5 61.1 0.8 CD1 A:LEU102 4.6 46.9 1.0 CG A:TYR141 4.7 63.4 1.0 CB A:TYR169 4.7 58.4 1.0 CZ A:TYR169 4.8 56.9 1.0 CA A:TYR169 5.0 59.7 1.0 CD1 A:TYR141 5.0 62.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv.


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 the Acceptor Substrate Dvv. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl6 b:58.0 occ:0.80 CL C:OMY6 0.0 58.0 0.8 CE1 C:OMY6 1.8 58.6 0.8 CD1 C:OMY6 2.7 57.9 0.8 CZ C:OMY6 2.8 58.1 0.8 OCZ C:OMY6 3.2 57.7 0.8 C6 C:BGC8 3.3 63.9 0.8 C3 C:GHP4 3.5 57.2 0.8 O5 C:BGC8 3.7 62.2 0.8 C2 C:GHP4 3.8 56.2 0.8 O6 C:BGC8 3.9 65.1 0.8 CG C:OMY6 4.1 57.3 0.8 CE2 C:OMY6 4.1 58.1 0.8 C5 C:BGC8 4.1 63.0 0.8 C4 C:GHP4 4.4 57.3 0.8 CD2 C:OMY6 4.6 57.8 0.8 C1 C:BGC8 4.8 60.5 0.8 C1 C:GHP4 4.8 55.7 0.8 O4 C:GHP4 4.9 58.5 0.8 O C:HOH2001 5.0 56.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl2 b:29.5 occ:1.00 CL D:OMZ2 0.0 29.5 1.0 CE1 D:OMZ2 1.7 30.0 1.0 CD1 D:OMZ2 2.7 30.2 1.0 CZ D:OMZ2 2.7 29.4 1.0 OH D:OMZ2 2.9 31.5 1.0 CD2 B:TYR169 3.2 38.5 1.0 CE2 B:TYR169 3.4 36.5 1.0 CE1 B:TYR173 3.6 38.1 1.0 CD2 B:LEU102 3.6 29.8 1.0 C5 D:GHP4 3.7 31.4 1.0 C6 D:GHP4 3.8 31.5 1.0 OH B:TYR173 3.8 37.7 1.0 CZ B:TYR173 3.9 38.0 1.0 CG D:OMZ2 4.0 31.1 1.0 CE2 D:OMZ2 4.0 28.8 1.0 CG B:TYR169 4.2 38.6 1.0 CD1 B:TYR141 4.4 41.4 1.0 CD1 B:TYR173 4.4 38.1 1.0 CG B:LEU102 4.4 31.8 1.0 CD1 B:LEU102 4.5 29.4 1.0 CZ B:TYR169 4.5 37.2 1.0 CD2 D:OMZ2 4.5 30.4 1.0 CB B:LEU102 4.6 31.2 1.0 CB B:TYR169 4.8 36.4 1.0 C4 D:GHP4 4.8 30.7 1.0 C1 D:GHP4 4.8 31.1 1.0 CG B:TYR141 4.8 41.8 1.0 O D:OMZ2 4.9 35.7 1.0 CB B:TYR141 4.9 41.3 1.0 CE2 B:TYR173 5.0 36.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Tdp-Epi-Vancosaminyltransferase Gtfa in Complexes with Tdp and the Acceptor Substrate Dvv. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl6 b:25.7 occ:1.00 CL D:OMY6 0.0 25.7 1.0 CE1 D:OMY6 1.8 27.1 1.0 CD1 D:OMY6 2.7 28.7 1.0 CZ D:OMY6 2.8 27.4 1.0 OCZ D:OMY6 3.2 30.1 1.0 C6 D:BGC8 3.3 33.1 1.0 C3 D:GHP4 3.4 29.9 1.0 O D:HOH2004 3.4 26.7 1.0 O6 D:BGC8 3.5 36.2 1.0 O5 D:BGC8 3.6 33.3 1.0 C2 D:GHP4 3.7 30.9 1.0 CG D:OMY6 4.0 27.0 1.0 C5 D:BGC8 4.1 33.4 1.0 CE2 D:OMY6 4.1 26.9 1.0 C4 D:GHP4 4.2 30.7 1.0 O D:HOH2009 4.3 43.2 1.0 CD2 D:OMY6 4.6 26.1 1.0 C1 D:BGC8 4.6 33.0 1.0 C1 D:GHP4 4.6 31.1 1.0 O4 D:GHP4 4.8 33.1 1.0 O D:GHP4 4.8 31.8 1.0 O D:HOH2008 4.8 45.8 1.0 NE2 B:HIS128 4.9 32.1 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