MolNFT v1 · #168568 · protein
Crystal structure of pentalenene synthase mutant F76W
6WKG: “Crystal structure of pentalenene synthase mutant F76W”. X-ray diffraction, 4 pockets (best druggability 0.81). MolNFT v1 #168568 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WKG
- Type
- protein
- Length
- 567 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pentalenene synthase
- EC
- 4.2.3.7
- UniProt
- Q55012
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pentalenene synthase (EC 4.2.3.7) | protein | 271 | 72% helix, 0% strand | Q55012 |
| B | Pentalenene synthase (EC 4.2.3.7) | protein | 296 | 74% helix, 0% strand | Q55012 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.81 | 0.82 | 74 | empty |
| 2 | 408 | 0.72 | 0.83 | 41 | empty |
| 3 | 361 | 0.66 | 0.80 | 34 | empty |
| 4 | 61 | 0.30 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 962 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 Q55012
- Elsewhere: RCSB PDB 6WKG · PDBe 6WKG · UniProt Q55012
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