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MolNFT v1 · #177808 · protein

The structure of formyl peptide receptor 1 in complex with gi and peptide agonist fmlf

7EUO · Fmet-leu-phe receptor: “The structure of formyl peptide receptor 1 in complex with gi and peptide agonist fmlf”. Electron microscopy, 1 ligand (CLR), 13 pockets (best druggability 0.82). MolNFT v1 #177808 on GenesisL1: 3D structure…

PDB
7EUO
Type
protein
Length
1,138 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fmet-leu-phe receptor; Guanine nucleotide-binding protein G(I) subunit alpha-1; Guanine…
UniProt
P21462, P63096, P62873, P59768
Ligands
CLR
Pockets
13 · best druggability 0.82

Structure

electron microscopy · 6 distinct chains · 34% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
RFmet-leu-phe receptorprotein29579% helix, 3% strandP21462
AGuanine nucleotide-binding protein G(I) subunit alpha-1protein21844% helix, 17% strandP63096
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3367% helix, 46% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5450% helix, 0% strandP59768
SSCFV16protein2323% helix, 47% strand—
CPeptide agonist fmlfprotein30% helix, 0% strand—

Ligands and binding sites

  • CLR · Cholesterol · ligand · 2 copies · chains R

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18390.820.8464empty
29690.700.7567empty
34470.680.8058empty
45370.680.7841empty
52180.570.7929empty

Interfaces

7 interfaces between chains.

  • B–G · 2186 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 1270 Ų buried · 10 hydrogen bonds · protein-protein
  • R–A · 1090 Ų buried · 7 hydrogen bonds · protein-protein
  • A–S · 559 Ų buried · 4 hydrogen bonds · protein-protein
  • R–C · 518 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 1 modified (disulfide, formylation).

Compared structures

  • 7EUO · The structure of formyl peptide receptor 1 in complex with Gi and peptide agonist fMLF · the same entry in another collection · chain C against C, TM-score 1.00
  • P62873 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P21462 · AlphaFold monomer V2.0 prediction for fmet-leu-phe receptor (P21462) · a predicted model of the same protein · chain R against A, TM-score 0.95
  • P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.87
  • P63096 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.80

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