› 3clx

X-ray diffraction
2.7Å resolution

Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound, Smac005

Released:
DOI: 10.2210/pdb3clx/pdb
PDB entry 3clx coloured by chain, front view.
PDB entry 3clx coloured by chain, side view.
PDB entry 3clx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.
Mastrangelo E, Cossu F, Milani M, Sorrentino G, Lecis D, Delia D, Manzoni L, Drago C, Seneci P, Scolastico C, Rizzo V, Bolognesi M
J Mol Biol 384 673-89 (2008)
PMID: 18851976

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 (preferred)
homo dimer
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
Molecule details ›
Chains: A, B, C, D
Length: 130 amino acids
Theoretical weight: 14.68 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 4 x ZN
Ligand X22 6 x X22
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: C2221
Unit cell:
a: 64.875Å b: 115.28Å c: 163.233Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.225 0.221 0.306
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Inhibitor of apoptosis (IAP) proteins-modulators of cell death and inflammation.
Silke et al. (2013)
2 more

7 mentions without citation

Infection-derived lipids elicit an immune deficiency circuit in arthropods.
Shaw et al. (2017)
6 more