3UW4: CIAP1 BIR3

Crystal structure of cIAP1 BIR3 bound to GDC0152. Determined by X-ray diffraction at 1.79 Å resolution. Released 22 Feb 2012.

Method: X-ray diffraction
Resolution: 1.79 Å
Organism: Homo sapiens
Chains: 2
Atoms: 801
Mol. weight: 11.25 kDa
Ligands: ZN
Released: 22 Feb 2012

Explore 3UW4 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3UW4 contains 5 α-helices and 5 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 5 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	255-260	6
α-helix	273-278	6
β-strand	281-283	3	1
β-strand	290-292	3	1
β-strand	298-299	2	1
β-strand	300	1	2
α-helix	308-315	8
α-helix	320-326	7
α-helix	328-337	10

Chain Z: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	2	1	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4	A	protein	92	Homo sapiens	P98170 (AlphaFold model), Q13490 (AlphaFold model)
GDC0152	Z	protein	4

Sequence of entity 1 (A), FASTA

>3UW4_1 Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4 (chains A)
GSHMQTHAARMRTFMYWPSSVPVQPEQLAAAGFYYVGRNDDVKCFSCDGGLRCWESGDDP
WVEHAKWFPGCEFLIRMKGQEYINNIHLTHSL

Sequence of entity 2 (Z), FASTA

>3UW4_2 GDC0152 (chains Z)
AXPX

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2

Primary citation

Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). Flygare, J.A., Beresini, M., Budha, N. et al. J Med Chem (2012) 55:4101-4113. DOI 10.1021/jm300060k · PubMed

Other PDB entries of the same protein (UniProt P98170 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4J44 1.3 Å, Crystal structure of XIAP-BIR2 domain with AIAV bound
8W59 1.34 Å, Crystal structure of the RING domain of human XIAP treated with arsenic trioxide
4J47 1.35 Å, Crystal structure of XIAP-BIR2 domain with SVPI bound
4J46 1.42 Å, Crystal structure of XIAP-BIR2 domain with AVPI bound
4J3Y 1.45 Å, Crystal structure of XIAP-BIR2 domain
4J45 1.48 Å, Crystal structure of XIAP-BIR2 domain with ATAA bound
5O6T 1.57 Å, BIRC4 RING in complex with dimeric ubiquitin variant
4KJU 1.6 Å, Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
8W5A 1.65 Å, Crystal structure of the RING domain of human XIAP
4KJV 1.7 Å, Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
3UW5 1.71 Å, Crystal structure of the BIR domain of MLIAP bound to GDC0152
8GH7 1.75 Å, 142D6 bound to BIR3-XIAP

Browse structure collections

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