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Crystal structure of caspase-7 complexed with xiap

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

PDB: 1I51
Type: protein
Length: 498 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-7 subunit P20; Caspase-7 subunit P11; X-linked inhibitor of apoptosis protein
EC: 3.4.22.-
UniProt: P55210, P98170
Pockets: 1 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Caspase-7 subunit P20 (EC 3.4.22.-)	protein	139	31% helix, 30% strand	P55210
B, D	Caspase-7 subunit P11 (EC 3.4.22.-)	protein	92	33% helix, 18% strand	P55210
E, F	X-linked inhibitor of apoptosis protein	protein	18	39% helix, 0% strand	P98170

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	481	0.76	0.84	45	empty

Interfaces

10 interfaces between chains.

A–B · 2315 Å² buried · 37 hydrogen bonds · protein-protein
C–D · 2262 Å² buried · 33 hydrogen bonds · protein-protein
B–D · 1389 Å² buried · 18 hydrogen bonds · protein-protein
D–F · 659 Å² buried · 16 hydrogen bonds · protein-protein
B–E · 591 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

1I51 · Crystal structure of caspase-7 complexed with xiap · the same entry in another collection · chain F against F, 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 1I51 · PDBe 1I51 · UniProt P55210 · UniProt P98170

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