› 3f7h

X-ray diffraction
1.8Å resolution

Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic

Released:
DOI: 10.2210/pdb3f7h/pdb
PDB entry 3f7h coloured by chain, front view.
PDB entry 3f7h coloured by chain, side view.
PDB entry 3f7h 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

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188400 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Baculoviral IAP repeat-containing protein 7 30kDa subunit Chains: A, B
Molecule details ›
Chains: A, B
Length: 133 amino acids
Theoretical weight: 14.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q96CA5 (Residues: 63-172; Coverage: 37%)
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

5 bound ligands:
Ligand ZN 2 x ZN
Ligand 419 2 x 419
Ligand LI 1 x LI
Ligand BTB 1 x BTB
Ligand EDO 2 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P41212
Unit cell:
a: 88.048Å b: 88.048Å c: 73.321Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.15 0.149 0.175
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

Importance of ligand reorganization free energy in protein-ligand binding-affinity prediction.
Yang et al. (2009)
1 more