Vanadium in PDB 3igc: Smallpox Virus Topoisomerase-Dna Transition State

All present enzymatic activity of Smallpox Virus Topoisomerase-Dna Transition State:
5.99.1.2;

The structure of Smallpox Virus Topoisomerase-Dna Transition State, PDB code: 3igc was solved by K.Perry, Y.Hwang, F.D.Bushman, G.D.Van Duyne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	103.999, 103.999, 93.010, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 24.4

The binding sites of Vanadium atom in the Smallpox Virus Topoisomerase-Dna Transition State (pdb code 3igc). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total only one binding site of Vanadium was determined in the Smallpox Virus Topoisomerase-Dna Transition State, PDB code: 3igc:

Vanadium binding site 1 out of 1 in the Smallpox Virus Topoisomerase-Dna Transition State


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Smallpox Virus Topoisomerase-Dna Transition State within 5.0Å range: probe atom residue distance (Å) B Occ A:V600 b:24.5 occ:1.00 V A:VO4600 0.0 24.5 1.0 O1 A:VO4600 1.8 23.7 1.0 O3' B:DT511 1.8 21.6 1.0 O2 A:VO4600 1.8 23.2 1.0 O5' C:DA512 1.8 27.6 1.0 OH A:TYR274 2.0 24.8 1.0 C5' C:DA512 2.8 25.9 1.0 C3' B:DT511 3.0 28.9 1.0 CZ A:TYR274 3.1 30.3 1.0 CE2 A:TYR274 3.4 29.1 1.0 C4' B:DT511 3.5 26.2 1.0 NE A:ARG223 3.9 28.1 1.0 NH2 A:ARG130 3.9 27.2 1.0 NH2 A:ARG223 4.0 28.4 1.0 NE A:ARG130 4.0 26.0 1.0 O A:HOH319 4.0 14.3 1.0 C4' C:DA512 4.2 27.5 1.0 C2' B:DT511 4.2 25.5 1.0 O A:HOH404 4.3 21.4 1.0 CE1 A:TYR274 4.3 27.1 1.0 NZ A:LYS167 4.3 26.6 1.0 C1' B:DT511 4.3 26.3 1.0 O4' B:DT511 4.3 25.1 1.0 CZ A:ARG130 4.4 27.4 1.0 CZ A:ARG223 4.4 29.5 1.0 ND1 A:HIS265 4.4 33.9 1.0 O4' C:DA512 4.6 28.3 1.0 CD2 A:TYR274 4.8 28.1 1.0 C5' B:DT511 4.8 30.0 1.0 CD A:ARG223 4.9 26.0 1.0

K.Perry, Y.Hwang, F.D.Bushman, G.D.Van Duyne. Insights From the Structure of A Smallpox Virus Topoisomerase-Dna Transition State Mimic. Structure V. 18 127 2010.
ISSN: ISSN 0969-2126
PubMed: 20152159
DOI: 10.1016/J.STR.2009.10.020