MolNFT v1 · #164791 · protein
C171S mutant of linalool dehydratase isomerase
6T9H · Linalool dehydratase-isomerase protein ldi: “C171S mutant of linalool dehydratase isomerase”. X-ray diffraction, 20 pockets (best druggability 0.70). MolNFT v1 #164791 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6T9H
- Type
- protein
- Length
- 3,624 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Linalool dehydratase-isomerase protein ldi
- UniProt
- W8X534
- Pockets
- 20 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, S | Linalool dehydratase-isomerase protein ldi | protein | 363 | 57% helix, 8% strand | W8X534 |
| E, T, U, W | Linalool dehydratase-isomerase protein ldi | protein | 362 | 57% helix, 7% strand | W8X534 |
| V | Linalool dehydratase-isomerase protein ldi | protein | 361 | 57% helix, 8% strand | W8X534 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.70 | 0.89 | 28 | empty |
| 2 | 128 | 0.68 | 0.88 | 27 | empty |
| 3 | 128 | 0.67 | 0.88 | 26 | empty |
| 4 | 146 | 0.67 | 0.87 | 29 | empty |
| 5 | 139 | 0.67 | 0.87 | 26 | empty |
Interfaces
11 interfaces between chains.
- A–D · 1224 Ų buried · 14 hydrogen bonds · protein-protein
- V–W · 1222 Ų buried · 14 hydrogen bonds · protein-protein
- U–W · 1221 Ų buried · 13 hydrogen bonds · protein-protein
- C–E · 1202 Ų buried · 11 hydrogen bonds · protein-protein
- D–E · 1197 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 6T9H · C171S mutant of Linalool Dehydratase Isomerase · the same entry in another collection · chain T against T, 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 W8X534
- Elsewhere: RCSB PDB 6T9H · PDBe 6T9H · UniProt W8X534
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