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MolNFT v1 · #176955 · protein

Serotonin-bound serotonin 1A (5-HT1A) receptor-gi protein complex

7E2Y · Guanine nucleotide-binding protein G(I) subunit alpha-1: “Serotonin-bound serotonin 1A (5-HT1A) receptor-gi protein complex”. Electron microscopy, 3 ligands (CLR, SRO, J40), 9 pockets (best druggability 0.82). MolNFT v1 #176955 on…

PDB
7E2Y
Type
protein
Length
868 residues
Chains
4
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, P62873, P59768, P08908
Ligands
CLR, SRO, J40
Pockets
9 · best druggability 0.82

Structure

electron microscopy · 4 distinct chains · 44% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(I) subunit alpha-1protein21947% helix, 17% strandP63096
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3285% helix, 47% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein4549% helix, 0% strandP59768
RSoluble cytochrome B562,5-hydroxytryptamine receptor 1Aprotein27686% helix, 0% strandP08908

Ligands and binding sites

  • CLR · Cholesterol · ligand · 4 copies · chains R
  • SRO · Serotonin · ligand · chains R
  • J40 · [(2R)-1-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-3-tetradecanoyloxy-propan-2-yl] (5E, 8E)-hexadeca-5,8,11,14-tetraenoate · ligand · chains A, R

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18300.820.8564empty
25550.780.8442SRO
32770.660.8229empty
46900.650.7557empty
53670.600.7741empty

Interfaces

4 interfaces between chains.

  • B–G · 1670 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 1216 Ų buried · 6 hydrogen bonds · protein-protein
  • A–R · 1100 Ų buried · 9 hydrogen bonds · protein-protein
  • B–R · 159 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7E2Y · Serotonin-bound Serotonin 1A (5-HT1A) receptor-Gi protein complex · the same entry in another collection · chain R against R, 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
  • P08908 · AlphaFold monomer V2.0 prediction for 5-hydroxytryptamine receptor 1A (P08908) · a predicted model of the same protein · chain R against A, TM-score 0.89
  • 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 0.83
  • 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 0.79

Analyse

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