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MolNFT v1 · #178511 · protein

Luteinizing HORMONE/CHORIOGONADOTROPIN RECEPTOR(S277I)-chorionic gonadotropin-gs complex

7FIG · Engineered guanine nucleotide-binding protein G(S) subunit…: “Luteinizing HORMONE/CHORIOGONADOTROPIN RECEPTOR(S277I)-chorionic gonadotropin-gs complex”. Electron microscopy, 1 ligand (NAG), 16 pockets (best druggability 0.82).…

PDB
7FIG
Type
protein
Length
1,632 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Engineered guanine nucleotide-binding protein G(S) subunit alpha; Guanine…
UniProt
P54311, P63212, P22888, P01215, P0DN86
Ligands
NAG
Pockets
16 · best druggability 0.82

Structure

electron microscopy · 7 distinct chains · 32% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEngineered guanine nucleotide-binding protein G(S) subunit alphaprotein35955% helix, 11% strand—
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3389% helix, 42% strandP54311
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5756% helix, 0% strandP63212
NCamelid antibody vhh fragment NB35protein1285% helix, 45% strand—
RLutropin-choriogonadotropic hormone receptorprotein55245% helix, 13% strandP22888
XGlycoprotein hormones alpha chainprotein885% helix, 53% strandP01215
YChoriogonadotropin subunit beta 3protein1100% helix, 51% strandP0DN86

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains R, X, Y

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

Pockets

16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111810.820.83109empty
25620.800.8655empty
32940.800.9146empty
49520.780.8067empty
59290.770.7973empty

Interfaces

9 interfaces between chains.

  • X–Y · 2317 Ų buried · 47 hydrogen bonds · protein-protein
  • A–B · 2311 Ų buried · 44 hydrogen bonds · protein-protein
  • B–G · 2202 Ų buried · 20 hydrogen bonds · protein-protein
  • A–R · 1205 Ų buried · 13 hydrogen bonds · protein-protein
  • R–X · 1137 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 17 disulfide, 5 glycan (disulfide, N-glycosylation).

Compared structures

  • 7FIG · luteinizing hormone/choriogonadotropin receptor(S277I)-chorionic gonadotropin-Gs complex · the same entry in another collection · chain X against X, 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 0.99
  • P01215 · AlphaFold monomer V2.0 prediction for glycoprotein hormones alpha chain (P01215) · a predicted model of the same protein · chain X against A, TM-score 0.95
  • P22888 · AlphaFold monomer V2.0 prediction for lutropin-choriogonadotropic hormone receptor… · a predicted model of the same protein · chain R against A, TM-score 0.91
  • P0DN86 · AlphaFold monomer V2.0 prediction for choriogonadotropin subunit beta 3 (P0DN86) · a predicted model of the same protein · chain Y against A, TM-score 0.90
  • 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 G against A, TM-score 0.70

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