MolNFT v1 · #177080 · protein

The complex of inactive casr and NB2D11

7E6U · Extracellular calcium-sensing receptor: “The complex of inactive casr and NB2D11”. Electron microscopy, 20 pockets (best druggability 0.86). MolNFT v1 #177080 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7E6U
Type: protein
Length: 1,793 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Extracellular calcium-sensing receptor; Nb-2D11
UniProt: P41180
Pockets: 20 · best druggability 0.86

Structure

electron microscopy · 3 distinct chains · 33% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Extracellular calcium-sensing receptor	protein	773	41% helix, 8% strand	P41180
D	Nb-2D11	protein	124	5% helix, 34% strand	—
B	Nb-2D11	protein	123	8% helix, 32% strand	—

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	693	0.86	0.89	74	empty
2	687	0.85	0.89	72	empty
3	313	0.84	0.94	62	empty
4	1005	0.84	0.85	125	empty
5	233	0.82	0.95	42	empty

Interfaces

3 interfaces between chains.

A–C · 867 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 806 Å² buried · 7 hydrogen bonds · protein-protein
D–C · 795 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

7E6U · the complex of inactive CaSR and NB2D11 · 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 A against A, TM-score 0.76

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 P41180
Elsewhere: RCSB PDB 7E6U · PDBe 7E6U · UniProt P41180

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