3UW5: BIR domain of MLIAP

Crystal structure of the BIR domain of MLIAP bound to GDC0152. Determined by X-ray diffraction at 1.71 Å resolution. Released 22 Feb 2012.

Method: X-ray diffraction
Resolution: 1.71 Å
Organism: Homo sapiens
Chains: 4
Atoms: 1,748
Mol. weight: 27.47 kDa
Ligands: ZN
Released: 22 Feb 2012

Explore 3UW5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3UW5 contains 14 α-helices and 10 β-strands across 4 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: 7 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	82-84	3
α-helix	87-92	6
α-helix	93-96	4
α-helix	105-110	6
β-strand	113-115	3	1
β-strand	122-124	3	1
β-strand	130-131	2	1
β-strand	132	1	2
α-helix	134-135	2
α-helix	140-147	8
α-helix	152-166	15

Chain B: 7 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	82-85	4
α-helix	87-92	6
α-helix	93-96	4
α-helix	105-110	6
β-strand	113-115	3	3
β-strand	122-124	3	3
β-strand	130-131	2	3
β-strand	132	1	4
α-helix	140-147	8
α-helix	152-158	7
α-helix	160-168	9

Chains Y and Z: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	2	1	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4	A, B	protein	116	Homo sapiens	P98170 (AlphaFold model), Q96CA5 (AlphaFold model)
GDC-0152	Y, Z	protein	4

Sequence of entity 1 (A, B), FASTA

>3UW5_1 Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4 (chains A, B)
GSHMLETEEEEEEGAGATLSRGPAFPGMGSEELRLASFYDWPLTAEVPPELLAAAGFFHT
GHQDKVRCFFCYGGLQSWKRGDDPWTEHAKWFPGCQFLLRSKGQEYINNIHLTHSL

Sequence of entity 2 (Y, Z), FASTA

>3UW5_2 GDC-0152 (chains Y, Z)
AXPX

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2

Water and common crystallization additives (SO4) are not listed.

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.
8GH7 1.75 Å, 142D6 bound to BIR3-XIAP
4IC3 1.78 Å, Crystal structure of the F495L mutant XIAP RING domain

Browse structure collections

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