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Crystal structure of the caspase-7 / xiap-BIR2 complex

Analyse Crystal structure of the caspase-7 / xiap-BIR2 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1KMC
Type: protein
Length: 502 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-7; X-linked inhibitor of apoptosis protein
EC: 3.4.22.-
UniProt: P55210, P98170
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Caspase-7 (EC 3.4.22.-)	protein	234	30% helix, 26% strand	P55210
B	Caspase-7 (EC 3.4.22.-)	protein	234	30% helix, 26% strand	P55210
C, D	X-linked inhibitor of apoptosis protein	protein	17	41% helix, 0% strand	P98170

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	560	0.76	0.83	47	empty
2	52	0.59	0.92	22	empty

Interfaces

3 interfaces between chains.

A–B · 2284 Å² buried · 36 hydrogen bonds · protein-protein
B–D · 764 Å² buried · 8 hydrogen bonds · protein-protein
A–C · 735 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

1KMC · Crystal Structure of the Caspase-7 / XIAP-BIR2 Complex · the same entry in another collection · chain A against A, TM-score 1.00
P55210 · AlphaFold monomer V2.0 prediction for caspase-7 (P55210) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P55210
Every structure of UniProt P98170
Elsewhere: RCSB PDB 1KMC · PDBe 1KMC · UniProt P55210 · UniProt P98170

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