MolNFT v1 · #159023 · protein
Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases
6OBV · Fluvirucin B1 dh domain from module 1: “Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide…”. X-ray diffraction, 18 pockets (best druggability 0.67). MolNFT v1 #159023 on GenesisL1…
- PDB
- 6OBV
- Type
- protein
- Length
- 1,132 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fluvirucin B1 dh domain from module 1
- UniProt
- J9WMQ1
- Pockets
- 18 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 19% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fluvirucin B1 dh domain from module 1 | protein | 288 | 19% helix, 39% strand | J9WMQ1 |
| B | Fluvirucin B1 dh domain from module 1 | protein | 279 | 18% helix, 40% strand | J9WMQ1 |
| C | Fluvirucin B1 dh domain from module 1 | protein | 288 | 19% helix, 38% strand | J9WMQ1 |
| D | Fluvirucin B1 dh domain from module 1 | protein | 277 | 19% helix, 40% strand | J9WMQ1 |
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 174 | 0.67 | 0.87 | 25 | empty |
| 2 | 331 | 0.66 | 0.81 | 45 | empty |
| 3 | 325 | 0.65 | 0.81 | 53 | empty |
| 4 | 100 | 0.64 | 0.89 | 20 | empty |
| 5 | 114 | 0.63 | 0.88 | 20 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1087 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1018 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 432 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6OBV · Structural insights into dehydratase substrate selection for the borrelidin and… · 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 J9WMQ1
- Elsewhere: RCSB PDB 6OBV · PDBe 6OBV · UniProt J9WMQ1
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