MolNFT v1 · #45852 · protein

Structure of pro-sf-caspase-1

2NN3: “Structure of pro-sf-caspase-1”. X-ray diffraction, 8 pockets (best druggability 0.66). MolNFT v1 #45852 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2NN3
Type: protein
Length: 495 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Caspase-1
EC: 3.4.22.36
UniProt: P89116
Pockets: 8 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
C	Caspase-1 (EC 3.4.22.36)	protein	235	28% helix, 23% strand	P89116
D	Caspase-1 (EC 3.4.22.36)	protein	260	25% helix, 22% strand	P89116

Pockets

8 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	611	0.66	0.76	58	empty
2	294	0.57	0.77	32	empty
3	197	0.48	0.76	31	empty
4	72	0.34	0.76	15	empty
5	57	0.34	0.78	20	empty

Interfaces

1 interface between chains.

C–D · 1876 Å² buried · 22 hydrogen bonds · protein-protein

Compared structures

2NN3 · structure of pro-sf-caspase-1 · the same entry in another collection · chain C against C, TM-score 1.00
P89116 · AlphaFold monomer V2.0 prediction for caspase-1 (P89116) · a predicted model of the same protein · chain C against A, TM-score 0.89

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 P89116
Elsewhere: RCSB PDB 2NN3 · PDBe 2NN3 · UniProt P89116

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