3HL5: XIAP BIR3 with CS3

Crystal structure of XIAP BIR3 with CS3. Determined by X-ray diffraction at 1.8 Å resolution. Released 16 Jun 2009.

Method: X-ray diffraction
Resolution: 1.8 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,728
Mol. weight: 23.1 kDa
Ligands: ZN, 9JZ
Released: 16 Jun 2009

Explore 3HL5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3HL5 contains 13 α-helices and 6 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: 7 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	260-262	3
α-helix	265-270	6
α-helix	281-286	6
β-strand	289-291	3	1
β-strand	298-300	3	1
β-strand	306-307	2	1
α-helix	310-311	2
α-helix	316-323	8
α-helix	328-333	6
α-helix	336-342	7

Chain B: 6 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	260-262	3
α-helix	265-272	8
α-helix	281-286	6
β-strand	289-291	3	2
β-strand	298-300	3	2
β-strand	306-307	2	2
α-helix	316-323	8
α-helix	328-334	7
α-helix	336-343	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Baculoviral IAP repeat-containing protein 4	A, B	protein	95	Homo sapiens	P98170 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>3HL5_1 Baculoviral IAP repeat-containing protein 4 (chains A, B)
GSHMLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWK
PSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTH

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2
9JZ	(3S)-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-3-methyl-N-(2-pyr…	C28 H38 N6 O3	2

Primary citation

Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists. Ndubaku, C., Varfolomeev, E., Wang, L. et al. ACS Chem Biol (2009) 4:557-566. DOI 10.1021/cb900083m · 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

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