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Ketosynthase from module 6 of the bacillaene synthase from bacillus subtilis 168 (C167S mutant, crystal form 2)
Analyse Ketosynthase from module 6 of the bacillaene synthase from bacillus subtilis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5E6K
- Type
- protein
- Length
- 1,058 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase pksl
- UniProt
- Q05470
- Ligands
- SO4
- Pockets
- 14 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase pksl | protein | 527 | 39% helix, 20% strand | Q05470 |
| B | Polyketide synthase pksl | protein | 531 | 37% helix, 21% strand | Q05470 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1004 | 0.78 | 0.80 | 96 | empty |
| 2 | 789 | 0.72 | 0.78 | 67 | empty |
| 3 | 247 | 0.63 | 0.82 | 32 | empty |
| 4 | 145 | 0.62 | 0.85 | 27 | empty |
| 5 | 410 | 0.59 | 0.75 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 1961 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 5E6K · Ketosynthase from module 6 of the bacillaene synthase from Bacillus subtilis 168 (C167S… · 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 Q05470
- Elsewhere: RCSB PDB 5E6K · PDBe 5E6K · UniProt Q05470
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