Ligand · ZS0

ZS0 · 3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one

ZS0, 3-(4-fluorobenzyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one (C12 H9 F N4 O S, 276.3 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: ZS0
Formula: C12 H9 F N4 O S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

ZS0 in 2 structures; the first of them:

3ZS0 · Human Myeloperoxidase inactivated by TX2 · ZS0 C1579 · binds PHE99, GLU102, GLU116, PRO145, PHE147, ARG239, GLU242, PHE366 and 5 more
3ZS0 · Human myeloperoxidase inactivated by TX2 · ZS0 C1579 · binds PHE99, GLU102, GLU116, PRO145, PHE147, ARG239, GLU242, PHE366 and 5 more

Residues it binds most

PHE 4, GLU 4, LEU 4, ARG 4, MET 4, PRO 4 (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
MAN · alpha-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
CL · Chloride ion
SO4 · Sulfate ion
ACT · Acetate ion

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