MolNFT v1 · #116856 · protein
Structure, inhibition and regulation of two-pore channel TPC1 from arabidopsis thaliana
5DQQ · Two pore calcium channel protein 1: “Structure, inhibition and regulation of two-pore channel TPC1 from arabidopsis thaliana”. X-ray diffraction, 3 ligands (PLM, 66R, CA), 9 pockets (best druggability 0.75). MolNFT v1 #116856 on…
- PDB
- 5DQQ
- Type
- protein
- Length
- 649 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Two pore calcium channel protein 1
- UniProt
- Q94KI8
- Ligands
- PLM, 66R, CA
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Two pore calcium channel protein 1 | protein | 649 | 74% helix, 1% strand | Q94KI8 |
Ligands and binding sites
- PLM · Palmitic acid · ligand · chains A
- 66R · trans-Ned 19 · ligand · chains A
- CA · Calcium ion · metal · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 987 | 0.75 | 0.78 | 86 | empty |
| 2 | 509 | 0.68 | 0.78 | 39 | empty |
| 3 | 254 | 0.59 | 0.79 | 30 | empty |
| 4 | 118 | 0.44 | 0.77 | 22 | empty |
| 5 | 51 | 0.41 | 0.82 | 16 | CA |
Compared structures
- 5DQQ · Structure, inhibition and regulation of two-pore channel TPC1 from Arabidopsis thaliana · the same entry in another collection · chain A against A, TM-score 1.00
- Q94KI8 · AlphaFold monomer V2.0 prediction for two pore calcium channel protein 1 (Q94KI8) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 Q94KI8
- Elsewhere: RCSB PDB 5DQQ · PDBe 5DQQ · UniProt Q94KI8
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