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Calcitonin receptor in complex with gs and rat amylin peptide, bypass motif

Analyse Calcitonin receptor in complex with gs and rat amylin peptide, bypass motif in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7TYL
Type
protein
Length
1,156 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, P62873, P59768, P12969, P30988
Ligands
NH2
Pockets
16 · best druggability 0.81

Structure

electron microscopy · 6 distinct chains · 36% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(S) subunit alpha isoforms shortprotein22843% helix, 18% strandP63092
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3398% helix, 42% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5558% helix, 0% strandP59768
NNanobody 35protein1287% helix, 45% strand—
PAmylin peptideprotein3738% helix, 0% strandP12969
RCalcitonin receptorprotein36964% helix, 5% strandP30988

Ligands and binding sites

  • NH2 · Amino group · ion · chains P, R

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
16510.810.8656empty
210430.770.7963empty
36810.750.8169empty
411340.730.7669empty
55670.710.8061empty

Interfaces

7 interfaces between chains.

  • B–G · 2325 Ų buried · 17 hydrogen bonds · protein-protein
  • P–R · 2016 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 1538 Ų buried · 21 hydrogen bonds · protein-protein
  • A–R · 1125 Ų buried · 7 hydrogen bonds · protein-protein
  • A–N · 829 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 7TYL · Calcitonin Receptor in complex with Gs and rat amylin peptide, bypass motif · the same entry in another collection · chain R against R, 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 0.99
  • 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 0.85
  • P30988 · AlphaFold monomer V2.0 prediction for calcitonin receptor (P30988) · a predicted model of the same protein · chain R against A, TM-score 0.82
  • P12969 · AlphaFold monomer V2.0 prediction for islet amyloid polypeptide (P12969) · a predicted model of the same protein · chain P against A, TM-score 0.37

Analyse

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