› 6ey2

X-ray diffraction
2.7Å resolution

Crystal structure of XIAP-BIR3 in complex with a cIAP1-selective SM

Released:
DOI: 10.2210/pdb6ey2/pdb
PDB entry 6ey2 coloured by chain, front view.
PDB entry 6ey2 coloured by chain, side view.
PDB entry 6ey2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
Corti A, Milani M, Lecis D, Seneci P, de Rosa M, Mastrangelo E, Cossu F
FEBS J 285 3286-3298 (2018)
PMID: 30055105

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 domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161361 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
E3 ubiquitin-protein ligase XIAP Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 146 amino acids
Theoretical weight: 16.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P98170 (Residues: 241-356; Coverage: 23%)
Gene names: API3, BIRC4, IAP3, XIAP
Sequence domains: Inhibitor of Apoptosis domain
Structure domains: Inhibitor Of Apoptosis Protein (2mihbC-IAP-1); Chain A

Ligands and Environments

2 bound ligands:
Ligand ZN 8 x ZN
Ligand C3T 8 x C3T
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 57.23Å b: 97.06Å c: 182.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.235 0.284
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Targeting the BIR Domains of Inhibitor of Apoptosis (IAP) Proteins in Cancer Treatment.
Cossu et al. (2019)
2 more

1 mention without citation

Structure-based design and molecular profiling of Smac-mimetics selective for cellular IAPs.
Corti et al. (2018)