MolNFT v1 · #172352 · protein
Structure of the borneol dehydrogenases of salvia rosmarinus (high salt condition)
6ZZT: “Structure of the borneol dehydrogenases of salvia rosmarinus (high salt condition)”. X-ray diffraction, 2 ligands (NAD, CL), 13 pockets (best druggability 0.86). MolNFT v1 #172352 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6ZZT
- Type
- protein
- Length
- 1,005 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Borneol dehydrogenase
- Ligands
- NAD, CL
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Borneol dehydrogenase | protein | 247 | 52% helix, 15% strand | — |
| C | Borneol dehydrogenase | protein | 259 | 52% helix, 15% strand | — |
| D | Borneol dehydrogenase | protein | 252 | 52% helix, 16% strand | — |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains C
- CL · Chloride ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1077 | 0.86 | 0.87 | 69 | CL |
| 2 | 430 | 0.73 | 0.83 | 46 | NAD |
| 3 | 311 | 0.69 | 0.83 | 41 | empty |
| 4 | 318 | 0.67 | 0.81 | 41 | empty |
| 5 | 196 | 0.52 | 0.77 | 34 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1589 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 1560 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1547 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1492 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 950 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6ZZT · Structure of the borneol dehydrogenases of Salvia rosmarinus (high salt condition) · 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
- Elsewhere: RCSB PDB 6ZZT · PDBe 6ZZT
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