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MolNFT v1 · #85948 · protein

Hafnia alvei phytase apo form

4ARS · Histidine acid phosphatase: “Hafnia alvei phytase apo form”. X-ray diffraction, 5 pockets (best druggability 0.71). MolNFT v1 #85948 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4ARS
Type
protein
Length
407 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histidine acid phosphatase
EC
3.1.3.26
UniProt
G9Y2J2
Pockets
5 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistidine acid phosphatase (EC 3.1.3.26)protein40742% helix, 14% strandG9Y2J2

Ligands and binding sites

  • GOL · Glycerol · additive · 7 copies · chains A
  • ACT · Acetate ion · additive · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16590.710.7845GOL
2630.480.8413GOL
31060.460.7919ACT
4550.400.8117empty
5740.360.7715GOL

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4ARS · Hafnia Alvei phytase apo form · the same entry in another collection · chain A against A, TM-score 1.00

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