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MolNFT v1 · #26508 · protein

Crystal structure of hypothetical protein PH1421 from pyrococcus horikoshii.

1WR8 · Phosphoglycolate phosphatase: “Crystal structure of hypothetical protein PH1421 from pyrococcus horikoshii.”. X-ray diffraction, 2 pockets (best druggability 0.70). MolNFT v1 #26508 on GenesisL1: 3D structure, binding sites and…

PDB
1WR8
Type
protein
Length
461 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphoglycolate phosphatase
EC
3.1.3.18
UniProt
O50129
Pockets
2 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphoglycolate phosphatase (EC 3.1.3.18)protein23041% helix, 20% strandO50129
BPhosphoglycolate phosphatase (EC 3.1.3.18)protein23142% helix, 19% strandO50129

Ligands and binding sites

  • ACT · Acetate ion · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14880.700.8063empty
24210.670.8053ACT

Interfaces

1 interface between chains.

  • A–B · 1259 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 1WR8 · Crystal structure of hypothetical protein PH1421 from Pyrococcus horikoshii. · the same entry in another collection · chain A against A, TM-score 1.00
  • O50129 · AlphaFold monomer V2.0 prediction for phosphoglycolate phosphatase (O50129) · a predicted model of the same protein · chain A against A, TM-score 0.99

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