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MolNFT v1 · #8491 · protein

Bacillus stearothermophilus phoe (previously known as yhfr) in complex with trivanadate

1H2F · Phosphatase: “Bacillus stearothermophilus phoe (previously known as yhfr) in complex with trivanadate”. X-ray diffraction, 2 ligands (VA3, PO4), 1 pocket (best druggability 0.73). MolNFT v1 #8491 on GenesisL1: 3D structure, binding…

PDB
1H2F
Type
protein
Length
207 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatase
UniProt
Q9ALU0
Ligands
VA3, PO4
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphataseprotein20741% helix, 19% strandQ9ALU0

Ligands and binding sites

  • VA3 · Trivanadate · ligand · chains A
  • PO4 · Phosphate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12060.730.8928VA3

Compared structures

  • 1H2F · BACILLUS STEAROTHERMOPHILUS PHOE (previously known as yhfr) in complex with trivanadate · the same entry in another collection · chain A against A, TM-score 1.00

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