2026-01-17_00000232
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ligand
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9N1R
Crystal structure of XIAP-BIR3 with ALP2 series SMAC mimetic ligand;
X-ray diffraction 2.80Å
Protein #1
110 residues (96% resolved)
Raw Sequence ...
GSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVR
Canonical Sequence ...
GSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVR
Non polymer #2
A1BUO
InChI=1S/C19H20N6OS/c1-11-18(12(2)25-24-11)15-6-8-17(23-19(26)13(3)20-4)22-16(15)7-5-14-9-21-10-27-14/h6,8-10,13,20H,1-4H3,(H,24,25)(H,22,23,26)/t13-/m1/s1
InChI=1S/C19H20N6OS/c1-11-18(12(2)25-24-11)15-6-8-17(23-19(26)13(3)20-4)22-16(15)7-5-14-9-21-10-27-14/h6,8-10,13,20H,1-4H3,(H,24,25)(H,22,23,26)/t13-/m1/s1
SMILES: Cc1c(c(n[nH]1)C)c2ccc(nc2C#Cc3cncs3)NC(=O)[C@H](C)NC
Cc1c(c(n[nH]1)C)c2ccc(nc2C#Cc3cncs3)NC(=O)[C@H](C)NC
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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