MolNFT v1 · #179747 · protein

Cryo-EM structure of the caspase-1-CARD:ASC-card octamer

7KEU: “Cryo-EM structure of the caspase-1-CARD:ASC-card octamer”. Electron microscopy, 11 pockets (best druggability 0.84). MolNFT v1 #179747 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7KEU
Type: protein
Length: 668 residues
Chains: 8
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-1; Apoptosis-associated speck-like protein containing a card
EC: 3.4.22.36
UniProt: P29466, Q9ULZ3
Pockets: 11 · best druggability 0.84

Structure

electron microscopy · 2 distinct chains · 68% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E, F, G, H	Caspase-1 (EC 3.4.22.36)	protein	85	60% helix, 0% strand	P29466
A, B, C, D	Apoptosis-associated speck-like protein containing a card	protein	82	76% helix, 0% strand	Q9ULZ3

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	894	0.84	0.86	110	empty
2	670	0.81	0.85	83	empty
3	227	0.76	0.90	32	empty
4	127	0.74	0.93	29	empty
5	151	0.71	0.90	32	empty

Interfaces

16 interfaces between chains.

E–D · 665 Å² buried · 14 hydrogen bonds · protein-protein
G–B · 663 Å² buried · 12 hydrogen bonds · protein-protein
H–A · 634 Å² buried · 9 hydrogen bonds · protein-protein
F–C · 558 Å² buried · 14 hydrogen bonds · protein-protein
F–D · 513 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

7KEU · Cryo-EM structure of the Caspase-1-CARD:ASC-CARD octamer · the same entry in another collection · chain B against B, TM-score 1.00
P29466 · AlphaFold monomer V2.0 prediction for caspase-1 (P29466) · a predicted model of the same protein · chain F against A, TM-score 0.87

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 P29466
Every structure of UniProt Q9ULZ3
Elsewhere: RCSB PDB 7KEU · PDBe 7KEU · UniProt P29466 · UniProt Q9ULZ3

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