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MolNFT v1 · #55900 · protein

Crystal structure of the mutant of hpab (T198I, A276G, and R466H) complexed with FAD

2YYL · 4-hydroxyphenylacetate-3-hydroxylase: “Crystal structure of the mutant of hpab (T198I, A276G, and R466H) complexed with FAD”. X-ray diffraction, 2 ligands (FAD, SO4), 1 pocket (best druggability 0.75). MolNFT v1 #55900 on GenesisL1…

PDB
2YYL
Type
protein
Length
476 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
4-hydroxyphenylacetate-3-hydroxylase
EC
1.14.13.3
UniProt
Q5SJP8
Ligands
FAD, SO4
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A4-hydroxyphenylacetate-3-hydroxylase (EC 1.14.13.3)protein47654% helix, 15% strandQ5SJP8

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • SO4 · Sulfate ion · ion · 3 copies · 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
17130.750.8158FAD

Compared structures

  • 2YYL · Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) complexed with FAD · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5SJP8 · AlphaFold monomer V2.0 prediction for 4-hydroxyphenylacetate 3-monooxygenase oxygenase… · a predicted model of the same protein · chain A against A, TM-score 1.00

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