MolNFT v1 · #21489 · protein

Crystal structure of the human caspase-1 C285A mutant after removal of malonate

1SC4 · Interleukin-1 beta convertase: “Crystal structure of the human caspase-1 C285A mutant after removal of malonate”. X-ray diffraction, 1 pocket (best druggability 0.45). MolNFT v1 #21489 on GenesisL1: 3D structure, binding sites and…

PDB: 1SC4
Type: protein
Length: 246 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Interleukin-1 beta convertase
EC: 3.4.22.36
UniProt: P29466
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Interleukin-1 beta convertase (EC 3.4.22.36)	protein	166	31% helix, 22% strand	P29466
B	Interleukin-1 beta convertase (EC 3.4.22.36)	protein	80	30% helix, 13% strand	P29466

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	117	0.45	0.78	26	empty

Interfaces

1 interface between chains.

A–B · 2429 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

1SC4 · Crystal structure of the human caspase-1 C285A mutant after removal of malonate · the same entry in another collection · chain A against A, TM-score 1.00
P29466 · AlphaFold monomer V2.0 prediction for caspase-1 (P29466) · a predicted model of the same protein · chain A against A, TM-score 0.94

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
Elsewhere: RCSB PDB 1SC4 · PDBe 1SC4 · UniProt P29466

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