Ligand · HJA

HJA · (2S)-3-amino-2-{[(4-cyclohexylbutoxy) carbonyl]amino}propanethioic S-acid

HJA, (2S)-3-amino-2-{[(4-cyclohexylbutoxy) carbonyl]amino}propanethioic S-acid (C14 H26 N2 O3 S, 302.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component: HJA
Formula: C14 H26 N2 O3 S
Class: ligand
Structures: 4
PDB entries: 2

Binding sites

HJA in 4 structures; the first of them:

6DY0 · Rabbit N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to beta-lactam… · HJA B409 · binds VAL118, ALA121, CYS128, ASP147, TYR148, PHE176, TYR179, TRP183 and 2 more
6DY2 · Guinea pig N-acylethanolamine-hydrolyzing acid amidase (NAAA) covalently bound to… · HJA B408 · binds VAL114, ALA117, TYR118, CYS124, LEU142, ASP143, TYR144, PHE172 and 7 more
6DY0 · Rabbit N-acylethanolamine-hydrolyzing acid amidase (naaa) covalently bound to beta-lactam… · HJA B409 · binds VAL118, ALA121, CYS128, ASP147, TYR148, PHE176, TYR179, TRP183 and 2 more
6DY2 · Guinea pig N-acylethanolamine-hydrolyzing acid amidase (naaa) covalently bound to… · HJA B408 · binds VAL114, ALA117, CYS124, LEU142, ASP143, TYR144, PHE172, TYR175 and 4 more

Residues it binds most

TYR 6, ASP 6, ASN 6, CYS 6, GLU 6, PHE 6, TRP 6, ALA 5, LEU 4, VAL 4 (residue and the binding sites it lines).

Found with

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
CL · Chloride ion
TON · 2-{2-[4-(1,1,3,3-tetramethylbutyl) phenoxy]ethoxy}ethanol
PO4 · Phosphate ion

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