› 2vsl

X-ray diffraction
2.1Å resolution

Crystal Structure of XIAP BIR3 with a Bivalent Smac Mimetic

Released:
DOI: 10.2210/pdb2vsl/pdb
PDB entry 2vsl coloured by chain, front view.
PDB entry 2vsl coloured by chain, side view.
PDB entry 2vsl coloured by chain, top view.
Source organisms:
Primary publication:
Interaction of a cyclic, bivalent smac mimetic with the x-linked inhibitor of apoptosis protein.
Nikolovska-Coleska Z, Meagher JL, Jiang S, Yang CY, Qiu S, Roller PP, Stuckey JA, Wang S
Biochemistry 47 9811-24 (2008)
PMID: 18717598

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 domain:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161362 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
E3 ubiquitin-protein ligase XIAP Chain: A
Molecule details ›
Chain: A
Length: 96 amino acids
Theoretical weight: 11.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P98170 (Residues: 250-345; Coverage: 19%)
Gene names: API3, BIRC4, IAP3, XIAP
Sequence domains: Inhibitor of Apoptosis domain
Structure domains: Inhibitor Of Apoptosis Protein (2mihbC-IAP-1); Chain A
PEPTIDE (MAA-LYS-PRO-PHE) Chain: B
Molecule details ›
Chain: B
Length: 4 amino acids
Theoretical weight: 477 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand 15P 1 x 15P
Ligand ZN 1 x ZN
1 modified residue:
Ligand MAA 1 x MAA

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 32-ID
Spacegroup: I422
Unit cell:
a: 102.478Å b: 102.478Å c: 65.218Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.218 0.226
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

4 review citations

Synthetic mimetics of protein secondary structure domains.
Ross et al. (2010)
3 more

4 mentions without citation

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