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MolNFT v1 · #188000 · protein

Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2

7T6U · Guanine nucleotide-binding protein G(I) subunit alpha-1: “Molecular recognition of formylpeptides and diverse agonists by the formylpeptide receptors FPR1 and FPR2”. Electron microscopy, 1 ligand (PLM), 14 pockets (best druggability…

PDB
7T6U
Type
protein
Length
1,152 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(I) subunit alpha-1; Guanine nucleotide-binding…
UniProt
P63096, P54311, P63212, P25090
Ligands
PLM
Pockets
14 · best druggability 0.82

Structure

electron microscopy · 6 distinct chains · 34% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(I) subunit alpha-1protein21946% helix, 18% strandP63096
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3377% helix, 47% strandP54311
CGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5754% helix, 0% strandP63212
EB9-scfvprotein2321% helix, 47% strand—
LSynthetic peptideprotein80% helix, 0% strand—
RN-formyl peptide receptor 2protein29978% helix, 3% strandP25090

Ligands and binding sites

  • PLM · Palmitic acid · ligand · 2 copies · chains R

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17330.820.8664empty
210050.760.7889empty
3620.680.9515empty
4710.650.9217empty
53580.640.7959empty

Interfaces

7 interfaces between chains.

  • B–C · 2201 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 1254 Ų buried · 16 hydrogen bonds · protein-protein
  • A–R · 1143 Ų buried · 7 hydrogen bonds · protein-protein
  • L–R · 869 Ų buried · 5 hydrogen bonds · protein-protein
  • A–E · 611 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 7T6U · Structure of the human FPR2-Gi complex with CGEN-855A · the same entry in another collection · chain R against R, TM-score 1.00
  • P54311 · 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 1.00
  • P25090 · AlphaFold monomer V2.0 prediction for N-formyl peptide receptor 2 (P25090) · a predicted model of the same protein · chain R against A, TM-score 0.93
  • 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 0.81
  • P63212 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain C against A, TM-score 0.69

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