› 4j48

X-ray diffraction
2.1Å resolution

Crystal structure of XIAP-BIR2 domain with AMRV bound

Released:
DOI: 10.2210/pdb4j48/pdb
PDB entry 4j48 coloured by chain, front view.
PDB entry 4j48 coloured by chain, side view.
PDB entry 4j48 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Lukacs C, Belunis C, Crowther R, Danho W, Gao L, Goggin B, Janson CA, Li S, Remiszewski S, Schutt A, Thakur MK, Singh SK, Swaminathan S, Pandey R, Tyagi R, Gosu R, Kamath AV, Kuglstatter A
Acta Crystallogr D Biol Crystallogr 69 1717-25 (2013)
PMID: 23999295

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:
Biological process:
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assemblies composition:
hetero dimer (preferred)
monomeric
Assembly name:
PDBe Complex ID:
PDB-CPX-161367 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
E3 ubiquitin-protein ligase XIAP Chains: A, C
Molecule details ›
Chains: A, C
Length: 86 amino acids
Theoretical weight: 9.94 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P98170 (Residues: 152-236; Coverage: 17%)
Gene names: API3, BIRC4, IAP3, XIAP
Sequence domains: Inhibitor of Apoptosis domain
Structure domains: Inhibitor Of Apoptosis Protein (2mihbC-IAP-1); Chain A
PEPTIDE (ALA-MET-ARG-VAL) Chain: B
Molecule details ›
Chain: B
Length: 4 amino acids
Theoretical weight: 477 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand ZN 2 x ZN
Ligand GOL 1 x GOL
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: I422
Unit cell:
a: 74.805Å b: 74.805Å c: 109.123Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.183 0.253
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

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

2 mentions without citation

Molecular modeling in the age of clinical genomics, the enterprise of the next generation.
Prokop et al. (2017)
1 more