› 2opz

X-ray diffraction
3Å resolution

AVPF bound to BIR3-XIAP

Released:
DOI: 10.2210/pdb2opz/pdb
PDB entry 2opz coloured by chain, front view.
PDB entry 2opz coloured by chain, side view.
PDB entry 2opz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP.
Wist AD, Gu L, Riedl SJ, Shi Y, McLendon GL
Bioorg Med Chem 15 2935-43 (2007)
PMID: 17336535

Function and Biology Details

Reaction catalysed: 
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
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:
Structure domain:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161373 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
E3 ubiquitin-protein ligase XIAP Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 109 amino acids
Theoretical weight: 12.6 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P98170 (Residues: 249-357; Coverage: 22%)
Gene names: API3, BIRC4, IAP3, XIAP
Sequence domains: Inhibitor of Apoptosis domain
Structure domains: Inhibitor Of Apoptosis Protein (2mihbC-IAP-1); Chain A
AVPF (Smac homologue, N-terminal tetrapeptide) Chains: E, F, G, H
Molecule details ›
Chains: E, F, G, H
Length: 4 amino acids
Theoretical weight: 433 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand ZN 4 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X12C
Spacegroup: I213
Unit cell:
a: 170.367Å b: 170.367Å c: 170.367Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.231 0.231 0.277
Expression systems:
  • Escherichia coli BL21
  • Not provided

Quick links

Citations

3 review citations

Classification of scaffold-hopping approaches.
Sun et al. (2012)
2 more

10 mentions without citation

X-linked inhibitor of apoptosis protein - a critical death resistance regulator and therapeutic target for personalized cancer therapy.
Obexer et al. (2014)
9 more