MolNFT v1 · #118082 · protein
Ketosynthase from module 5 of the bacillaene synthase from bacillus amyloliquefaciens FZB42
5ERB · Polyketide synthase: “Ketosynthase from module 5 of the bacillaene synthase from bacillus amyloliquefaciens FZB42”. X-ray diffraction, 20 pockets (best druggability 0.81). MolNFT v1 #118082 on GenesisL1: 3D structure, binding sites…
- PDB
- 5ERB
- Type
- protein
- Length
- 2,353 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase
- UniProt
- Q1RS72
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase | protein | 584 | 34% helix, 17% strand | Q1RS72 |
| B | Polyketide synthase | protein | 593 | 32% helix, 18% strand | Q1RS72 |
| C | Polyketide synthase | protein | 586 | 32% helix, 18% strand | Q1RS72 |
| D | Polyketide synthase | protein | 590 | 32% helix, 18% strand | Q1RS72 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 840 | 0.81 | 0.83 | 79 | empty |
| 2 | 410 | 0.80 | 0.88 | 64 | empty |
| 3 | 1193 | 0.79 | 0.80 | 72 | empty |
| 4 | 499 | 0.77 | 0.85 | 60 | empty |
| 5 | 647 | 0.72 | 0.80 | 67 | empty |
Interfaces
3 interfaces between chains.
- C–D · 2829 Ų buried · 42 hydrogen bonds · protein-protein
- A–B · 2720 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 468 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5ERB · Ketosynthase from module 5 of the bacillaene synthase from Bacillus amyloliquefaciens… · 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 Q1RS72
- Elsewhere: RCSB PDB 5ERB · PDBe 5ERB · UniProt Q1RS72
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