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MolNFT v1 · #189776 · protein

Pth-bound human PTH1R in complex with gs (CLASS2)

7VVL · Guanine nucleotide-binding protein G(S) subunit alpha…: “Pth-bound human PTH1R in complex with gs (CLASS2)”. Electron microscopy, 15 pockets (best druggability 0.81). MolNFT v1 #189776 on GenesisL1: 3D structure, binding sites and…

PDB
7VVL
Type
protein
Length
1,126 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(S) subunit alpha isoforms short; Guanine…
UniProt
P63092, P54311, P63212, P01270, Q03431
Pockets
15 · best druggability 0.81

Structure

electron microscopy · 6 distinct chains · 37% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(S) subunit alpha isoforms shortprotein23047% helix, 17% strandP63092
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3356% helix, 47% strandP54311
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5351% helix, 0% strandP63212
NNanobody NB35protein1285% helix, 42% strand—
PParathyroid hormoneprotein3491% helix, 0% strandP01270
RParathyroid HORMONE/PARATHYROID hormone-related peptide receptorprotein34666% helix, 4% strandQ03431

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17150.810.8559empty
23720.710.8350empty
311040.700.7563empty
46910.700.7758empty
51570.650.8625empty

Interfaces

7 interfaces between chains.

  • B–G · 2016 Ų buried · 15 hydrogen bonds · protein-protein
  • P–R · 1897 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 1472 Ų buried · 25 hydrogen bonds · protein-protein
  • A–R · 970 Ų buried · 6 hydrogen bonds · protein-protein
  • A–N · 909 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 7VVL · PTH-bound human PTH1R in complex with Gs (class2) · 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
  • Q03431 · AlphaFold monomer V2.0 prediction for parathyroid HORMONE/PARATHYROID hormone-related… · a predicted model of the same protein · chain R against A, TM-score 0.95
  • P01270 · AlphaFold monomer V2.0 prediction for parathyroid hormone (P01270) · a predicted model of the same protein · chain P 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 0.66

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