› 3f7g

X-ray diffraction
2.3Å resolution

Structure of the BIR domain from ML-IAP bound to a peptidomimetic

Released:
DOI: 10.2210/pdb3f7g/pdb
PDB entry 3f7g coloured by chain, front view.
PDB entry 3f7g coloured by chain, side view.
PDB entry 3f7g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold.
Cohen F, Alicke B, Elliott LO, Flygare JA, Goncharov T, Keteltas SF, Franklin MC, Frankovitz S, Stephan JP, Tsui V, Vucic D, Wong H, Fairbrother WJ
J Med Chem 52 1723-30 (2009)
PMID: 19228017

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 analysis Details

Assemblies composition:
monomeric
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188406 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Baculoviral IAP repeat-containing protein 7 30kDa subunit Chains: A, B, C, D, E
Molecule details ›
Chains: A, B, C, D, E
Length: 140 amino acids
Theoretical weight: 15.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q96CA5 (Residues: 63-179; Coverage: 39%)
Gene names: BIRC7, KIAP, LIVIN, MLIAP, RNF50, UNQ5800/PRO19607/PRO21344
Sequence domains: Inhibitor of Apoptosis domain
Structure domains: Inhibitor Of Apoptosis Protein (2mihbC-IAP-1); Chain A

Ligands and Environments

3 bound ligands:
Ligand ZN 5 x ZN
Ligand P33 1 x P33
Ligand 389 1 x 389
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P32
Unit cell:
a: 84.016Å b: 84.016Å c: 94.476Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.167 0.209
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Targeting IAP proteins for therapeutic intervention in cancer.
Fulda et al. (2012)
6 more

2 mentions without citation

Role of melanoma inhibitor of apoptosis (ML-IAP) protein, a member of the baculoviral IAP repeat (BIR) domain family, in the regulation of C-RAF kinase and cell migration.
Oberoi-Khanuja et al. (2012)
1 more