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MolNFT v1 · #176662 · protein

Human calcium-sensing receptor in the inactive close-close conformation

7DTW · Extracellular calcium-sensing receptor: “Human calcium-sensing receptor in the inactive close-close conformation”. Electron microscopy, 1 ligand (NAG), 18 pockets (best druggability 0.82). MolNFT v1 #176662 on GenesisL1: 3D…

PDB
7DTW
Type
protein
Length
1,556 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Extracellular calcium-sensing receptor
UniProt
P41180
Ligands
NAG
Pockets
18 · best druggability 0.82

Structure

electron microscopy · 1 distinct chain · 40% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BExtracellular calcium-sensing receptorprotein77840% helix, 10% strandP41180

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains A, B

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

Pockets

18 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12230.820.9539empty
22320.820.9444empty
32900.820.9259empty
43040.810.9262empty
510650.810.83101empty

Interfaces

1 interface between chains.

  • A–B · 1229 Ų buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 disulfide, 10 glycan (disulfide, N-glycosylation).

Compared structures

  • 7DTW · Human Calcium-Sensing Receptor in the inactive close-close conformation · the same entry in another collection · chain A against A, TM-score 1.00
  • P41180 · AlphaFold monomer V2.0 prediction for extracellular calcium-sensing receptor (P41180) · a predicted model of the same protein · chain B against A, TM-score 0.89

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