Brand  (β version)

PDB ID: 3UW4

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
CHG Cyclohexyl-glycine
MAA N-methyl-L-alanine
Glycosylation
Code Name Emphasize
Modification
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0DQ 4-phenyl-1,2,3-thiadiazol-5-amine

Structure summary

Code : 3UW4   PDBj   RCSB PDB   PDBe
Header : Apoptosis Inhibitor
Title : Crystal structure of cIAP1 BIR3 bound to GDC0152
Release Data : 2012-02-22
Compound :
mol_id molecule chains synonym
1 Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4 A C-IAP1, IAP homolog B, Inhibitor of apoptosis protein 2, IAP-2, hIAP-2, hIAP2, RING finger protein 48, TNFR2-TRAF-signaling complex protein 2, E3 ubiquitin-protein ligase XIAP, IAP-like protein, ILP, hILP, Inhibitor of apoptosis protein 3, IAP-3, hIAP-3, hIAP3, X-linked inhibitor of apoptosis protein, X-linked IAP
fragment: BIR3 residues 266-354
mutation: C292S, R332G
mol_id molecule chains
2 GDC0152 Z
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: API1, BIRC2, cIAP1, IAP2, MIHB, RNF48, API3, BIRC4, IAP3, XIAP
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pET15b
mol_id organism_scientific
2
synthetic: yes
other_details: Synthetic inhibitor
Authors : Maurer, B., Hymowitz, S.
Keywords : Apoptosis Inhibitor, BIR domain
Exp. method : X-RAY DIFFRACTION ( 1.79 Å )
Citation :

Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).

Flygare, J.A.,Beresini, M.,Budha, N.  et al.
(2012)  J.Med.Chem.  55 : 4101 - 4113

PubMed: 22413863
DOI: 10.1021/jm300060k

Reaction

Chain : A
UniProt : Q13490 (BIRC2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine + [acceptor protein]-L-lysine = [E2 ubiquitin-conjugating enzyme]-L- cysteine + N(6)-ubiquitinyl-[acceptor protein]-L-lysine. 2.3.2.27 PubMed:18082613, PubMed:21145488, PubMed:21931591, PubMed:23453969
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Chain : A
UniProt : P98170 (XIAP_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine + [acceptor protein]-L-lysine = [E2 ubiquitin-conjugating enzyme]-L- cysteine + N(6)-ubiquitinyl-[acceptor protein]-L-lysine. 2.3.2.27 PubMed:19473982, PubMed:20154138, PubMed:21931591, PubMed:22304967, PubMed:22607974, PubMed:30026309
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