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MolNFT v1 · #176744 · protein

Cryo-EM structure of human V2 vasopressin receptor in complex with an gs protein

7DW9 · Vasopressin V2 receptor: “Cryo-EM structure of human V2 vasopressin receptor in complex with an gs protein”. Electron microscopy, 2 ligands (CLR, NH2), 14 pockets (best druggability 0.82). MolNFT v1 #176744 on GenesisL1: 3D…

PDB
7DW9
Type
protein
Length
1,283 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vasopressin V2 receptor; Guanine nucleotide-binding protein G(S) subunit alpha isoforms…
UniProt
P30518, P54311, P63212
Ligands
CLR, NH2
Pockets
14 · best druggability 0.82

Structure

electron microscopy · 7 distinct chains · 31% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
RVasopressin V2 receptorprotein27876% helix, 3% strandP30518
AGuanine nucleotide-binding protein G(S) subunit alpha isoforms shortprotein23846% helix, 18% strand—
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3417% helix, 48% strandP54311
YGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5864% helix, 0% strandP63212
NNANOBODY35protein1265% helix, 42% strand—
SSCFV16protein2335% helix, 48% strand—
CCys-tyr-phe-gln-asn-cys-pro-arg-gly-NH2protein90% helix, 0% strand—

Ligands and binding sites

  • CLR · Cholesterol · ligand · 3 copies · chains R
  • NH2 · Amino group · ion · chains R, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18140.820.8560empty
29830.750.7861empty
311550.720.7585empty
41860.700.8823empty
53230.650.8044empty

Interfaces

9 interfaces between chains.

  • B–Y · 2284 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 1481 Ų buried · 21 hydrogen bonds · protein-protein
  • R–A · 992 Ų buried · 9 hydrogen bonds · protein-protein
  • R–C · 957 Ų buried · 12 hydrogen bonds · protein-protein
  • A–N · 739 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 7DW9 · Cryo-EM structure of human V2 vasopressin receptor in complex with an Gs protein · the same entry in another collection · chain C against C, 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
  • P30518 · AlphaFold monomer V2.0 prediction for vasopressin V2 receptor (P30518) · a predicted model of the same protein · chain R against A, TM-score 0.89
  • 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 Y against A, TM-score 0.68

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