Ligand · PVW

PVW · 3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one

PVW, 3-(2-methoxyethyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one (C8 H10 N4 O2 S, 226.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component: PVW
Formula: C8 H10 N4 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

PVW in 2 structures; the first of them:

3ZS1 · Human Myeloperoxidase inactivated by TX5 · PVW A606 · binds PHE99, GLU102, ARG239, GLU242, PHE366, PHE407
3ZS1 · Human myeloperoxidase inactivated by TX5 · PVW A606 · binds PHE99, GLU102, ARG239, GLU242, PHE366, PHE407

Residues it binds most

PHE 4, GLU 4, ARG 4, LEU 2, THR 2 (residue and the binding sites it lines).

Found with

HEM · Protoporphyrin IX containing Fe
CA · Calcium ion
BMA · beta-D-mannopyranose
FUC · alpha-L-fucopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
CL · Chloride ion
SO4 · Sulfate ion
ACT · Acetate ion

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