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MolNFT v1 · #160117 · protein

Cryo-EM structure of urocortin 1-bound corticotropin-releasing factor 2 receptor in complex with gs protein and NB35

6PB1 · Corticotropin-releasing factor receptor 2: “Cryo-EM structure of urocortin 1-bound corticotropin-releasing factor 2 receptor in complex with gs protein…”. Electron microscopy, 2 ligands (PLM, CLR), 13 pockets (best druggability…

PDB
6PB1
Type
protein
Length
1,069 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Corticotropin-releasing factor receptor 2; Urocortin; Guanine nucleotide-binding protein…
UniProt
Q13324, P55089, P63092, P63096, P62873, P59768
Ligands
PLM, CLR
Pockets
13 · best druggability 0.83

Structure

electron microscopy · 6 distinct chains · 38% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
PCorticotropin-releasing factor receptor 2protein28178% helix, 0% strandQ13324
UUrocortinprotein4078% helix, 0% strandP55089
AGuanine nucleotide-binding protein G(S) subunit alpha isoforms SHORT,GUANINE nucleotide-binding protein G(I) subunit alpha- 1,GUANINE nucleotide-binding protein G(S) subunit alpha isoforms shortprotein22743% helix, 19% strandP63092, P63096
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3388% helix, 46% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5753% helix, 0% strandP59768
NNanobody 35protein1265% helix, 44% strand—

Ligands and binding sites

  • PLM · Palmitic acid · ligand · 5 copies · chains P
  • CLR · Cholesterol · ligand · 4 copies · chains P

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

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18350.830.8676empty
29730.760.7973empty
38110.730.7871empty
43870.710.8365empty
52120.560.7930empty

Interfaces

7 interfaces between chains.

  • B–G · 2206 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1574 Ų buried · 18 hydrogen bonds · protein-protein
  • P–U · 1505 Ų buried · 9 hydrogen bonds · protein-protein
  • P–A · 1096 Ų buried · 10 hydrogen bonds · protein-protein
  • A–N · 965 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6PB1 · Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in… · 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
  • Q13324 · AlphaFold monomer V2.0 prediction for corticotropin-releasing factor receptor 2 (Q13324) · a predicted model of the same protein · chain P against A, TM-score 0.95
  • 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 0.92
  • P63092 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(S) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.84
  • P63096 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.74
  • P55089 · AlphaFold monomer V2.0 prediction for urocortin (P55089) · a predicted model of the same protein · chain U against A, TM-score 0.70

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