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MolNFT v1 · #104102 · protein

Crystal structure of pyrococcus furiosus L-asparaginase

4Q0M: “Crystal structure of pyrococcus furiosus L-asparaginase”. X-ray diffraction, 2 ligands (4CS, PO4), 1 pocket (best druggability 0.48). MolNFT v1 #104102 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4Q0M
Type
protein
Length
327 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
L-asparaginase
EC
3.5.1.1
UniProt
Q8TZE8
Ligands
4CS, PO4
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AL-asparaginase (EC 3.5.1.1)protein32729% helix, 24% strandQ8TZE8

Ligands and binding sites

  • 4CS · (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid · ligand · chains A
  • PO4 · Phosphate ion · ion · chains A
  • GOL · Glycerol · additive · 3 copies · 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
1900.480.8224GOL

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4Q0M · Crystal structure of Pyrococcus furiosus L-asparaginase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8TZE8 · AlphaFold monomer V2.0 prediction for L-asparaginase (Q8TZE8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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