Research workbench
CA14-cbd-DB21 ternary complex
Analyse CA14-cbd-DB21 ternary complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TE8
- Type
- protein
- Length
- 478 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CA14; DB21
- Ligands
- P0T
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, D | CA14 | protein | 119 | 8% helix, 54% strand | — |
| A, B | DB21 | protein | 120 | 8% helix, 55% strand | — |
Ligands and binding sites
- P0T · cannabidiol · ligand · 2 copies · chains C, A, D, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 301 | 0.80 | 0.91 | 48 | P0T |
| 2 | 376 | 0.78 | 0.88 | 55 | P0T |
| 3 | 315 | 0.55 | 0.75 | 42 | empty |
| 4 | 230 | 0.50 | 0.75 | 27 | empty |
| 5 | 69 | 0.34 | 0.77 | 12 | empty |
Interfaces
6 interfaces between chains.
- C–A · 1063 Ų buried · 17 hydrogen bonds · protein-protein
- D–B · 1036 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 570 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 169 Ų buried · 1 hydrogen bond · protein-protein
- C–B · 166 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7TE8 · CA14-CBD-DB21 ternary complex · the same entry in another collection · chain C against C, 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
- Elsewhere: RCSB PDB 7TE8 · PDBe 7TE8
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