GL1X · GenesisL1 explorer

MolNFT v1 · #91220 · protein

Crystal structure of the yeast metacaspase YCA1

4F6O · Metacaspase-1: “Crystal structure of the yeast metacaspase YCA1”. X-ray diffraction, 1 ligand (DFH), 1 pocket (best druggability 0.42). MolNFT v1 #91220 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4F6O
Type
protein
Length
268 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metacaspase-1
EC
3.4.22.-
UniProt
Q08601
Ligands
DFH
Pockets
1 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMetacaspase-1 (EC 3.4.22.-)protein26826% helix, 23% strandQ08601

Ligands and binding sites

  • DFH · 1,1-diphenylethanol · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11010.420.7720empty

Compared structures

  • 4F6O · Crystal structure of the yeast metacaspase Yca1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q08601 · AlphaFold monomer V2.0 prediction for metacaspase-1 (Q08601) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

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