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MolNFT v1 · #101182 · protein

Crystal structure of pyrococcus furiosus L-asparaginase with ligand

4NJE: “Crystal structure of pyrococcus furiosus L-asparaginase with ligand”. X-ray diffraction, 1 ligand (ASP), 1 pocket (best druggability 0.40). MolNFT v1 #101182 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4NJE
Type
protein
Length
309 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
L-asparaginase
EC
3.5.1.1
UniProt
Q8TZE8
Ligands
ASP
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AL-asparaginase (EC 3.5.1.1)protein18230% helix, 31% strandQ8TZE8
BL-asparaginase (EC 3.5.1.1)protein12735% helix, 14% strandQ8TZE8

Ligands and binding sites

  • ASP · Aspartic acid · 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
11010.400.7622empty

Interfaces

1 interface between chains.

  • A–B · 938 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4NJE · Crystal structure of Pyrococcus furiosus L-asparaginase with ligand · 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 B against A, TM-score 0.98

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