MolNFT v1 · #147184 · protein

Crystal structure of the human NK1 tachykinin receptor

6E59 · Substance-P receptor, glga glycogen synthase, substance-P…: “Crystal structure of the human NK1 tachykinin receptor”. X-ray diffraction, 1 ligand (L76), 7 pockets (best druggability 0.77). MolNFT v1 #147184 on GenesisL1: 3D…

PDB: 6E59
Type: protein
Length: 479 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Substance-P receptor, glga glycogen synthase, substance-P receptor chimera
UniProt: P25103, Q9V2J8
Ligands: L76
Pockets: 7 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Substance-P receptor, glga glycogen synthase, substance-P receptor chimera	protein	479	63% helix, 8% strand	P25103, Q9V2J8

Ligands and binding sites

L76 · 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl) phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine · ligand · chains A

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	696	0.77	0.81	59	L76
2	188	0.56	0.79	26	empty
3	112	0.41	0.76	22	empty
4	136	0.38	0.73	28	empty
5	96	0.37	0.75	15	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

6E59 · Crystal structure of the human NK1 tachykinin receptor · the same entry in another collection · chain A against A, TM-score 1.00
P25103 · AlphaFold monomer V2.0 prediction for substance-P receptor (P25103) · a predicted model of the same protein · chain A against A, TM-score 0.59

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 P25103
Every structure of UniProt Q9V2J8
Elsewhere: RCSB PDB 6E59 · PDBe 6E59 · UniProt P25103 · UniProt Q9V2J8

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