MolNFT v1 · #94221 · protein

Crystal structure of mutant form of caspase-7

4HQ0: “Crystal structure of mutant form of caspase-7”. X-ray diffraction, 4 pockets (best druggability 0.59). MolNFT v1 #94221 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4HQ0
Type: protein
Length: 427 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-7
EC: 3.4.22.60
UniProt: P55210
Pockets: 4 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Caspase-7 (EC 3.4.22.60)	protein	210	33% helix, 25% strand	P55210
B	Caspase-7 (EC 3.4.22.60)	protein	217	33% helix, 26% strand	P55210

Pockets

4 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	66	0.59	0.90	20	empty
2	214	0.53	0.77	33	empty
3	168	0.50	0.77	28	empty
4	64	0.40	0.80	17	empty

Interfaces

1 interface between chains.

A–B · 1457 Å² buried · 14 hydrogen bonds · protein-protein

Compared structures

4HQ0 · Crystal Structure of mutant form of Caspase-7 · 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 0.97

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 4HQ0 · PDBe 4HQ0 · UniProt P55210

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