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MolNFT v1 · #111239 · protein

Crystal structures of mpges-1 inhibitor complexes

4YL0 · Prostaglandin E synthase: “Crystal structures of mpges-1 inhibitor complexes”. X-ray diffraction, 2 ligands (4DZ, GSH). MolNFT v1 #111239 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4YL0
Type
protein
Length
148 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Prostaglandin E synthase
EC
5.3.99.3
UniProt
O14684
Ligands
4DZ, GSH

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProstaglandin E synthase (EC 5.3.99.3)protein14880% helix, 1% strandO14684

Ligands and binding sites

  • 4DZ · 2-(9-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)benzene-1,3-dicarbonitrile · ligand · chains A
  • GSH · Glutathione · ligand · chains A
  • BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A
  • PG4 · Tetraethylene glycol · additive · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 4YL0 · Crystal Structures of mPGES-1 Inhibitor Complexes · the same entry in another collection · chain A against A, TM-score 1.00
  • O14684 · AlphaFold monomer V2.0 prediction for prostaglandin E synthase (O14684) · a predicted model of the same protein · chain A against A, TM-score 0.98

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