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MolNFT v1 · #175962 · protein

Cryo-EM structure of the cortisol-bound adhesion receptor GPR97-go complex

7D77 · Guanine nucleotide-binding protein G(O) subunit alpha: “Cryo-EM structure of the cortisol-bound adhesion receptor GPR97-go complex”. Electron microscopy, 4 ligands (PLM, CLR, Y01), 10 pockets (best druggability 0.83). MolNFT v1…

PDB
7D77
Type
protein
Length
1,105 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(O) subunit alpha; Guanine nucleotide-binding protein…
UniProt
P62873, P59768
Ligands
PLM, CLR, Y01, HCY
Pockets
10 · best druggability 0.83

Structure

electron microscopy · 5 distinct chains · 30% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(O) subunit alphaprotein21538% helix, 17% strand—
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3389% helix, 47% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5650% helix, 0% strandP59768
RAdhesion G protein-coupled receptor G3protein26572% helix, 6% strand—
SSCFV16protein2311% helix, 46% strand—

Ligands and binding sites

  • PLM · Palmitic acid · ligand · 3 copies · chains A, R
  • CLR · Cholesterol · ligand · 2 copies · chains R
  • Y01 · Cholesterol hemisuccinate · ligand · chains R
  • HCY · (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione · ligand · chains R

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

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18380.830.8562empty
24520.830.8935HCY
34460.800.8748PLM
48900.690.7587empty
54120.670.8064empty

Interfaces

6 interfaces between chains.

  • B–G · 2117 Ų buried · 13 hydrogen bonds · protein-protein
  • A–R · 1183 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 1169 Ų buried · 15 hydrogen bonds · protein-protein
  • A–S · 568 Ų buried · 6 hydrogen bonds · protein-protein
  • B–S · 436 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide, 1 lipid (disulfide, palmitoylation).

Compared structures

  • 7D77 · Cryo-EM structure of the cortisol-bound adhesion receptor GPR97-Go complex · the same entry in another collection · chain B against B, 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 1.00
  • 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 0.94

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