MolNFT v1 · #117353 · protein
Ketosynthase from module 6 of the bacillaene synthase from bacillus subtilis 168 (C167S mutant, crystal form 1)
5E5N · Polyketide synthase pksl: “Ketosynthase from module 6 of the bacillaene synthase from bacillus subtilis 168 (C167S mutant, crystal form…”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #117353 on GenesisL1: 3D…
- PDB
- 5E5N
- Type
- protein
- Length
- 2,196 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase pksl
- UniProt
- Q05470
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase pksl | protein | 563 | 39% helix, 20% strand | Q05470 |
| B | Polyketide synthase pksl | protein | 568 | 38% helix, 20% strand | Q05470 |
| C | Polyketide synthase pksl | protein | 533 | 38% helix, 20% strand | Q05470 |
| D | Polyketide synthase pksl | protein | 532 | 38% helix, 20% strand | Q05470 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1198 | 0.78 | 0.80 | 106 | empty |
| 2 | 1088 | 0.77 | 0.79 | 96 | empty |
| 3 | 293 | 0.72 | 0.85 | 32 | empty |
| 4 | 303 | 0.71 | 0.85 | 32 | empty |
| 5 | 618 | 0.71 | 0.79 | 63 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1937 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 1880 Ų buried · 27 hydrogen bonds · protein-protein
- B–C · 230 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5E5N · 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 5E5N · PDBe 5E5N · UniProt Q05470
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