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MolNFT v1 · #118918 · protein

Structure of tetrameric rat phenylalanine hydroxylase, residues 1-453

5FGJ · Phenylalanine-4-hydroxylase: “Structure of tetrameric rat phenylalanine hydroxylase, residues 1-453”. X-ray diffraction, 2 ligands (FE, MG), 20 pockets (best druggability 0.87). MolNFT v1 #118918 on GenesisL1: 3D structure, binding…

PDB
5FGJ
Type
protein
Length
1,700 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phenylalanine-4-hydroxylase
EC
1.14.16.1
UniProt
P04176
Ligands
FE, MG
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 4 distinct chains · 46% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhenylalanine-4-hydroxylase (EC 1.14.16.1)protein42846% helix, 16% strandP04176
BPhenylalanine-4-hydroxylase (EC 1.14.16.1)protein42646% helix, 15% strandP04176
CPhenylalanine-4-hydroxylase (EC 1.14.16.1)protein42446% helix, 15% strandP04176
DPhenylalanine-4-hydroxylase (EC 1.14.16.1)protein42246% helix, 16% strandP04176

Ligands and binding sites

  • FE · Fe (III) ion · metal · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · chains A

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18980.870.8985empty
211320.860.87105empty
36780.770.8257FE
46020.760.8263FE
54610.750.8444FE

Interfaces

6 interfaces between chains.

  • B–C · 3100 Ų buried · 39 hydrogen bonds · protein-protein
  • A–D · 3008 Ų buried · 38 hydrogen bonds · protein-protein
  • C–D · 588 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 522 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 137 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5FGJ · Structure of tetrameric rat phenylalanine hydroxylase, residues 1-453 · the same entry in another collection · chain D against D, TM-score 1.00
  • P04176 · AlphaFold monomer V2.0 prediction for phenylalanine-4-hydroxylase (P04176) · a predicted model of the same protein · chain D against A, TM-score 0.78

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