Research workbench
Structural insights into dehydratase substrate selection for the borrelidin and fluvirucin polyketide synthases
Analyse Structural insights into dehydratase substrate selection for the borrelidin and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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