0O6 · (3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]

Binding sites

0O6 in 4 structures; the first of them:

• 4EB9 · cIAP1-BIR3 in complex with a divalent Smac mimetic · 0O6 C402 · binds ASP297, VAL298, LYS299, GLY306, LEU307, ARG308, CYS309, TRP310 and 23 more
• 4EC4 · XIAP-BIR3 in complex with a potent divalent Smac mimetic · 0O6 A402 · binds ASN249, PRO251, LEU292, LYS297, VAL298, LYS299, GLY306, LEU307 and 25 more
• 4EB9 · CIAP1-BIR3 in complex with a divalent smac mimetic · 0O6 C402 · binds ASP297, VAL298, LYS299, GLY306, LEU307, ARG308, CYS309, TRP310 and 23 more
• 4EC4 · Xiap-BIR3 in complex with a potent divalent smac mimetic · 0O6 A402 · binds ASN249, PRO251, LEU292, LYS297, VAL298, LYS299, GLY306, LEU307 and 25 more

Residues it binds most

LEU 14, TRP 14, LYS 14, ASP 14, GLU 14, GLY 14, VAL 14, THR 12, ASN 10, GLN 10 (residue and the binding sites it lines).

Found with

• ZN · Zinc ion
• 2PE · Nonaethylene glycol
• P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol