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MolNFT v1 · #169060 · protein

Human secretin receptor gs complex

6WZG: “Human secretin receptor gs complex”. Electron microscopy, 14 pockets (best druggability 0.83). MolNFT v1 #169060 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6WZG
Type
protein
Length
1,165 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Secretin; Secretin receptor; Guanine nucleotide-binding protein G(S) subunit alpha…
UniProt
P09683, P47872, P63092, P62873, P59768
Pockets
14 · best druggability 0.83

Structure

electron microscopy · 6 distinct chains · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
PSecretinprotein2793% helix, 0% strandP09683
RSecretin receptorprotein37964% helix, 0% strandP47872
AGuanine nucleotide-binding protein G(S) subunit alpha isoforms shortprotein24048% helix, 18% strandP63092
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3387% helix, 47% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5553% helix, 0% strandP59768
NNANOBODY35protein1267% helix, 43% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17820.830.8658empty
28000.760.8060empty
32910.720.8543empty
410480.710.7567empty
53430.660.8158empty

Interfaces

7 interfaces between chains.

  • B–G · 2166 Ų buried · 18 hydrogen bonds · protein-protein
  • P–R · 1499 Ų buried · 18 hydrogen bonds · protein-protein
  • A–B · 1486 Ų buried · 32 hydrogen bonds · protein-protein
  • R–A · 1104 Ų buried · 11 hydrogen bonds · protein-protein
  • A–N · 991 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 6WZG · Human secretin receptor Gs complex · the same entry in another collection · chain N against N, 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 0.96
  • P47872 · AlphaFold monomer V2.0 prediction for secretin receptor (P47872) · a predicted model of the same protein · chain R against A, TM-score 0.91
  • P09683 · AlphaFold monomer V2.0 prediction for secretin (P09683) · a predicted model of the same protein · chain P against A, TM-score 0.82

Analyse

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