Research workbench

Calcitonin receptor in complex with gs and salmon calcitonin peptide

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

PDB: 7TYN
Type: protein
Length: 1,154 residues
Chains: 6
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calcitonin-1; Calcitonin receptor; Guanine nucleotide-binding protein G(S) subunit alpha…
UniProt: B5XGR7, P30988, P63092, P62873, P59768
Ligands: PLM, P42, Y01, NAG, NH2
Pockets: 13 · best druggability 0.82

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
P	Calcitonin-1	protein	32	50% helix, 3% strand	B5XGR7
R	Calcitonin receptor	protein	373	66% helix, 7% strand	P30988
A	Guanine nucleotide-binding protein G(S) subunit alpha isoforms short	protein	227	45% helix, 17% strand	P63092
B	Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	protein	339	8% helix, 47% strand	P62873
G	Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	protein	55	51% helix, 0% strand	P59768
N	Nanobody 35	protein	128	5% helix, 45% strand	—

Ligands and binding sites

PLM · Palmitic acid · ligand · 13 copies · chains R
P42 · (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate · ligand · chains R
Y01 · Cholesterol hemisuccinate · ligand · chains R
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains R
NH2 · Amino group · ion · chains P, R

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	711	0.82	0.86	53	empty
2	941	0.77	0.79	67	empty
3	949	0.74	0.78	61	empty
4	627	0.74	0.81	58	empty
5	257	0.67	0.83	40	empty

Interfaces

7 interfaces between chains.

B–G · 2191 Å² buried · 20 hydrogen bonds · protein-protein
P–R · 2024 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 1504 Å² buried · 32 hydrogen bonds · protein-protein
R–A · 1205 Å² buried · 10 hydrogen bonds · protein-protein
A–N · 852 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

7TYN · Calcitonin Receptor in complex with Gs and salmon calcitonin peptide · 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 0.94
P30988 · AlphaFold monomer V2.0 prediction for calcitonin receptor (P30988) · a predicted model of the same protein · chain R against A, TM-score 0.88

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt B5XGR7
Every structure of UniProt P30988
Every structure of UniProt P63092
Every structure of UniProt P62873
Every structure of UniProt P59768
Elsewhere: RCSB PDB 7TYN · PDBe 7TYN · UniProt B5XGR7 · UniProt P30988 · UniProt P63092 · UniProt P62873 · UniProt P59768

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