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MolNFT v1 · #167447 · protein

Crystal structure of mpges-1 bound to dg-031

6VL4 · Prostaglandin E synthase: “Crystal structure of mpges-1 bound to dg-031”. X-ray diffraction, 1 ligand (QY1). MolNFT v1 #167447 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6VL4
Type
protein
Length
143 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
QY1

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AProstaglandin E synthase (EC 5.3.99.3)protein14380% helix, 1% strandO14684

Ligands and binding sites

  • QY1 · (2R)-cyclopentyl{4-[(quinolin-2-yl) methoxy]phenyl}acetic acid · ligand · chains A
  • PG4 · Tetraethylene glycol · additive · 2 copies · chains A
  • BOG · octyl beta-D-glucopyranoside · 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

  • 6VL4 · Crystal Structure of mPGES-1 bound to DG-031 · 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 0.99

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