› 6exw

X-ray diffraction
2.2Å resolution

Crystal structure of cIAP1-BIR3 in complex with a covalently bound SM

Released:
DOI: 10.2210/pdb6exw/pdb
PDB entry 6exw coloured by chain, front view.
PDB entry 6exw coloured by chain, side view.
PDB entry 6exw 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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171717 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Baculoviral IAP repeat-containing protein 2 Chains: A, C
Molecule details ›
Chains: A, C
Length: 122 amino acids
Theoretical weight: 14.39 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q13490 (Residues: 250-363; Coverage: 18%)
Gene names: API1, BIRC2, MIHB, RNF48
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 2 x ZN
Ligand C3K 2 x C3K
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P3221
Unit cell:
a: 53.799Å b: 53.799Å c: 176.627Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.191 0.251
Expression system: Escherichia coli BL21(DE3)

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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)