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Crystal structure of human cytosolic 5'-nucleotidase III in complex with phosphate and magnesium

Analyse Crystal structure of human cytosolic 5'-nucleotidase III in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2JGA
Type
protein
Length
273 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytosolic 5'-nucleotidase III
EC
3.1.3.5
UniProt
Q9H0P0
Ligands
MG, PO4
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytosolic 5'-nucleotidase III (EC 3.1.3.5)protein27346% helix, 18% strandQ9H0P0

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • PO4 · Phosphate ion · ion · chains A

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

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15630.790.8548PO4, MG
2500.270.7512empty

Compared structures

  • 2JGA · Crystal structure of human cytosolic 5'-nucleotidase III in complex with phosphate and… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H0P0 · AlphaFold monomer V2.0 prediction for cytosolic 5'-nucleotidase 3A (Q9H0P0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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