Ligand · 95I

95I · N-(benzylcarbamothioyl)-L-histidine

95I, N-(benzylcarbamothioyl)-L-histidine (C14 H16 N4 O2 S, 304.4 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 most and the ligands…

Component: 95I
Formula: C14 H16 N4 O2 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

95I in 2 structures; the first of them:

7SF5 · M. tb EgtD in complex with HD3 · 95I A401 · binds TYR39, PHE47, ILE50, TYR56, GLY161, SER162, THR163, ASN166 and 6 more
7SF5 · M. tb egtd in complex with HD3 · 95I A401 · binds TYR39, PHE47, ILE50, TYR56, GLY161, THR163, ASN166, TYR206 and 4 more

Residues it binds most

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

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