MolNFT v1 · #175817 · protein
Crystal structure of rat TRPV6 in complex with (4- phenylcyclohexyl) piperazine inhibitor br-cis-22A
7D2K · Transient receptor potential cation channel subfamily V…: “Crystal structure of rat TRPV6 in complex with (4- phenylcyclohexyl) piperazine inhibitor br-cis-22A”. X-ray diffraction, 2 ligands (GQC, CA), 7 pockets (best druggability…
- PDB
- 7D2K
- Type
- protein
- Length
- 604 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transient receptor potential cation channel subfamily V member 6
- UniProt
- Q9R186
- Ligands
- GQC, CA
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transient receptor potential cation channel subfamily V member 6 | protein | 604 | 54% helix, 3% strand | Q9R186 |
Ligands and binding sites
- GQC · 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl) cyclohexyl]piperazin-4-ium · ligand · 2 copies · chains A
- CA · Calcium ion · metal · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 617 | 0.71 | 0.79 | 45 | empty |
| 2 | 219 | 0.65 | 0.84 | 36 | empty |
| 3 | 249 | 0.58 | 0.78 | 25 | empty |
| 4 | 71 | 0.55 | 0.87 | 17 | empty |
| 5 | 83 | 0.43 | 0.79 | 15 | GQC |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7D2K · Crystal structure of rat TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9R186 · AlphaFold monomer V2.0 prediction for transient receptor potential cation channel… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9R186
- Elsewhere: RCSB PDB 7D2K · PDBe 7D2K · UniProt Q9R186
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