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MolNFT v1 · #111105 · protein

Crystal structure of had phosphatase from thermococcus onnurineus

4YGS · Hydrolase: “Crystal structure of had phosphatase from thermococcus onnurineus”. X-ray diffraction, 1 ligand (MG), 1 pocket (best druggability 0.58). MolNFT v1 #111105 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4YGS
Type
protein
Length
215 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hydrolase
UniProt
B6YTD6
Ligands
MG
Pockets
1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHydrolaseprotein21552% helix, 14% strandB6YTD6

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • CIT · Citric acid · additive · 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
12860.580.7837MG

Compared structures

  • 4YGS · Crystal structure of HAD phosphatase from Thermococcus onnurineus · the same entry in another collection · chain A against A, TM-score 1.00

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