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MolNFT v1 · #141839 · protein

Crystal structure of the human platelet-activating factor receptor in complex with sr 27417

5ZKP · Platelet-activating factor RECEPTOR,FLAVODOXIN,PLATELET…: “Crystal structure of the human platelet-activating factor receptor in complex with sr 27417”. X-ray diffraction, 2 ligands (9ER, FMN), 6 pockets (best druggability 0.83).…

PDB
5ZKP
Type
protein
Length
436 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Platelet-activating factor RECEPTOR,FLAVODOXIN,PLATELET- activating factor receptor
UniProt
P25105, P00323
Ligands
9ER, FMN
Pockets
6 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APlatelet-activating factor RECEPTOR,FLAVODOXIN,PLATELET- activating factor receptorprotein43662% helix, 11% strandP25105, P00323

Ligands and binding sites

  • 9ER · N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine · ligand · chains A
  • FMN · Flavin mononucleotide · ligand · chains A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18170.830.85809ER
22670.650.8222empty
33250.600.7729empty
41120.470.7924FMN
5940.430.7914empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5ZKP · Crystal structure of the human platelet-activating factor receptor in complex with SR… · the same entry in another collection · chain A against A, TM-score 1.00
  • P25105 · AlphaFold monomer V2.0 prediction for platelet-activating factor receptor (P25105) · a predicted model of the same protein · chain A against A, TM-score 0.59
  • P00323 · AlphaFold monomer V2.0 prediction for flavodoxin (P00323) · a predicted model of the same protein · chain A against A, TM-score 0.34

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