Research workbench
Crystal structure of the human NK1 tachykinin receptor
Analyse Crystal structure of the human NK1 tachykinin receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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.
| Volume (ų) | 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
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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