Ligand · 8YI

8YI · (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid

8YI, (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid (C10 H11 N3 O2, 205.2 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, the residues it binds…

Component: 8YI
Formula: C10 H11 N3 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

8YI in 2 structures; the first of them:

7SCF · M. tb EgtD in complex with HD2 · 8YI A401 · binds TYR39, PHE47, ILE50, TYR56, GLY161, SER162, THR163, ASN166 and 6 more
7SCF · M. tb egtd in complex with HD2 · 8YI A401 · binds TYR39, PHE47, ILE50, TYR56, GLY161, THR163, ASN166, TYR206 and 4 more

Residues it binds most

TYR 4, PHE 4, THR 4, SER 4, ASN 4, GLU 4, GLY 4, MET 4, ILE 3 (residue and the binding sites it lines).

Found with

PO4 · Phosphate ion
GOL · Glycerol
PEG · Di(hydroxyethyl)ether

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