Ligand · X22
X22 · (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
X22, (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide (C28 H36 N4 O4, 492.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…
- Component
- X22
- Formula
- C28 H36 N4 O4
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
X22 in 4 structures; the first of them:
- 3CLX · Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005 · X22 D600 · binds LEU292, LYS297, GLY306, LEU307, THR308, ASP309, TRP310, LYS311 and 12 more
- 3CM7 · Crystal Structure of XIAP-BIR3 domain in complex with Smac-mimetic compuond, Smac005 · X22 C600 · binds LEU292, LYS297, VAL298, LYS299, GLY306, LEU307, THR308, ASP309 and 14 more
- 3CLX · Crystal structure of xiap BIR3 domain in complex with a smac-mimetic compound, SMAC005 · X22 D600 · binds LEU292, LYS297, GLY306, LEU307, THR308, ASP309, TRP310, LYS311 and 12 more
- 3CM7 · Crystal structure of xiap-BIR3 domain in complex with smac- mimetic compuond, SMAC005 · X22 C600 · binds LEU292, LYS297, VAL298, LYS299, GLY306, LEU307, THR308, ASP309 and 14 more
Residues it binds most
LYS 24, LEU 24, TRP 24, GLU 24, GLY 24, TYR 24, THR 20, GLN 24, HIS 14, ASP 16 (residue and the binding sites it lines).
Found with
- ZN · Zinc ion
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