MolNFT v1 · #138773 · protein
Crystal structure of a prokaryotic tric channel in 0.5 M kcl
5WTR · Uncharacterized protein: “Crystal structure of a prokaryotic tric channel in 0.5 M kcl”. X-ray diffraction, 2 ligands (TGL, K), 14 pockets (best druggability 0.88). MolNFT v1 #138773 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5WTR
- Type
- protein
- Length
- 1,179 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q981D4
- Ligands
- TGL, K
- Pockets
- 14 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 85% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, F | Uncharacterized protein | protein | 197 | 85% helix, 0% strand | Q981D4 |
| C, G, H | Uncharacterized protein | protein | 196 | 84% helix, 0% strand | Q981D4 |
Ligands and binding sites
- TGL · Tristearoylglycerol · ligand · 2 copies · chains A, B, C, F, G, H
- K · Potassium ion · metal · 33 copies · chains A, B, C, F, G, H
- EDO · 1,2-ethanediol · additive · 12 copies · chains A, B, C, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 952 | 0.88 | 0.89 | 79 | EDO, TGL |
| 2 | 885 | 0.88 | 0.89 | 80 | EDO, TGL |
| 3 | 893 | 0.72 | 0.76 | 72 | empty |
| 4 | 173 | 0.62 | 0.83 | 24 | EDO, K |
| 5 | 202 | 0.61 | 0.81 | 22 | EDO, K |
Interfaces
9 interfaces between chains.
- B–C · 1023 Ų buried · 7 hydrogen bonds · protein-protein
- G–H · 1006 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 1006 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 1006 Ų buried · 9 hydrogen bonds · protein-protein
- F–G · 1006 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5WTR · Crystal structure of a prokaryotic TRIC channel in 0.5 M KCl · the same entry in another collection · chain A against A, TM-score 1.00
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 Q981D4
- Elsewhere: RCSB PDB 5WTR · PDBe 5WTR · UniProt Q981D4
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