Ligand · W22

W22 · [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid

W22, [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-yl]acetic acid (C12 H14 N2 O3, 234.2 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…

Component: W22
Formula: C12 H14 N2 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

W22 in 2 structures; the first of them:

2WKW · Alcaligenes esterase complexed with product analogue · W22 A577 · binds GLY70, CYS71, CYS72, LEU73, PHE134, ALA136, ALA141, ILE144 and 10 more
2WKW · Alcaligenes esterase complexed with product analogue · W22 A577 · binds GLY70, CYS71, CYS72, LEU73, PHE134, ALA136, ALA141, ILE144 and 10 more

Residues it binds most

ALA 4, ARG 4, CYS 4, HIS 4, PHE 4, GLY 4, GLN 4, ILE 4, LEU 4, SER 4 (residue and the binding sites it lines).

Found with

SO4 · Sulfate ion
GOL · Glycerol

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