4KMP: XIAP-BIR3 and inhibitor

Structure of XIAP-BIR3 and inhibitor. Determined by X-ray diffraction at 1.95 Å resolution. Released 14 May 2014.

Method: X-ray diffraction
Resolution: 1.95 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,783
Mol. weight: 23.56 kDa
Ligands: ZN, GT6
Released: 14 May 2014

Explore 4KMP in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4KMP contains 10 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: 5 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	260-262	3
α-helix	265-271	7
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	316-323	8
α-helix	328-345	18

Chain B: 5 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	2
β-strand	298-300	3	2
β-strand	306-307	2	2
α-helix	316-323	8
α-helix	328-345	18

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
E3 ubiquitin-protein ligase XIAP	A, B	protein	98	Homo sapiens	P98170 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4KMP_1 E3 ubiquitin-protein ligase XIAP (chains A, B)
ADSHMLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDW
KPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSL

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	2
GT6	(2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2…	C42 H56 F2 N8 O6	1

Primary citation

Structure of XIAP-BIR3 and inhibitor. Li, X., Wang, J., Condon, S.M. et al. To be published.

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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