8DSF: CIAP1 with BCCov

Structure of cIAP1 with BCCov. Determined by X-ray diffraction at 1.5 Å resolution. Released 8 Mar 2023.

Method: X-ray diffraction
Resolution: 1.5 Å
Organism: Homo sapiens
Chains: 4
Atoms: 3,617
Mol. weight: 49.96 kDa
Ligands: TO0, ZN
Released: 8 Mar 2023

Explore 8DSF in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8DSF contains 26 α-helices and 12 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: 6 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	264-266	3
α-helix	269-274	6
α-helix	287-292	6
β-strand	295-297	3	1
β-strand	304-306	3	1
β-strand	312-313	2	1
α-helix	322-329	8
α-helix	334-340	7
α-helix	342-349	8

Chain B: 6 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	264-266	3
α-helix	269-275	7
α-helix	287-292	6
β-strand	295-297	3	2
β-strand	304-306	3	2
β-strand	312-313	2	2
α-helix	322-329	8
α-helix	334-340	7
α-helix	342-350	9

Chain C: 7 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	264-266	3
α-helix	269-275	7
α-helix	276-278	3
α-helix	287-292	6
β-strand	295-297	3	3
β-strand	304-306	3	3
β-strand	312-313	2	3
α-helix	322-329	8
α-helix	334-340	7
α-helix	342-348	7

Chain D: 7 helices, 3 β-strands

Element	Residues	Length	Sheet
α-helix	264-266	3
α-helix	269-275	7
α-helix	276-278	3
α-helix	287-292	6
β-strand	295-297	3	4
β-strand	304-306	3	4
β-strand	312-313	2	4
α-helix	322-329	8
α-helix	334-340	7
α-helix	342-349	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Baculoviral IAP repeat-containing protein 2	A, B, C, D	protein	99	Homo sapiens	Q13490 (AlphaFold model)

Sequence of entity 1 (A, B, C, D), FASTA

>8DSF_1 Baculoviral IAP repeat-containing protein 2 (chains A, B, C, D)
GSGPGSSISNLSMQTHAARMRTFMYWPSSVPVQPEQLASAGFYYVGRNDDVKCFCCDGGL
RCWESGDDPWVEHAKWFPRCEFLIRMKGQEFVDEIQGRY

Ligands and cofactors

ID	Name	Formula	Copies
TO0	(4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]…	C61 H79 N13 O7	4
ZN	Zinc ion	Zn	4

Primary citation

A covalent BTK ternary complex compatible with targeted protein degradation. Schiemer, J., Maxwell, A., Horst, R. et al. Nat Commun (2023) 14:1189-1189. DOI 10.1038/s41467-023-36738-z · PubMed

Other PDB entries of the same protein (UniProt Q13490 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4HY4 1.25 Å, Crystal structure of cIAP1 BIR3 bound to T3170284
7QGJ 1.3 Å, Apo structure of BIR2 Domain of BIRC2
3D9T 1.5 Å, CIAP1-BIR3 in complex with N-terminal peptide from Caspase-9 (ATPFQE)
4KMN 1.52 Å, Structure of cIAP1-BIR3 and inhibitor
4LGE 1.55 Å, Crystal structure of clAP1 BIR3 bound to T3261256
6HPR 1.7 Å, Crystal structure of cIAP1 RING domain bound to UbcH5B-Ub and a non-covalent Ub
7TRL 1.74 Å, Crystal structure of human BIRC2 BIR3 domain in complex with histone H3
4HY5 1.75 Å, Crystal structure of cIAP1 BIR3 bound to T3256336
3UW4 1.79 Å, Crystal structure of cIAP1 BIR3 bound to GDC0152
4MU7 1.79 Å, Crystal structure of cIAP1 BIR3 bound to T3450325
5M6N 1.8 Å, Small Molecule inhibitors of IAP
9N23 1.8 Å, Crystal structure of cIAP1-BIR3 with XB2 series SMAC mimetic ligand

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