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Crystal structure of unliganded caspase-7

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

PDB: 3IBF
Type: protein
Length: 469 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-7
EC: 3.4.22.60
UniProt: P55210
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Caspase-7 (EC 3.4.22.60)	protein	140	32% helix, 31% strand	P55210
B, D	Caspase-7 (EC 3.4.22.60)	protein	92	32% helix, 18% strand	P55210
C	Caspase-7 (EC 3.4.22.60)	protein	145	26% helix, 29% strand	P55210

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	563	0.76	0.83	51	empty
2	52	0.40	0.81	20	empty

Interfaces

6 interfaces between chains.

C–D · 2449 Å² buried · 31 hydrogen bonds · protein-protein
A–B · 2252 Å² buried · 30 hydrogen bonds · protein-protein
B–D · 1383 Å² buried · 19 hydrogen bonds · protein-protein
B–C · 540 Å² buried · 8 hydrogen bonds · protein-protein
A–D · 408 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3IBF · Crystal structure of unliganded caspase-7 · the same entry in another collection · chain D against D, 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
Elsewhere: RCSB PDB 3IBF · PDBe 3IBF · UniProt P55210

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