MolNFT v1 · #117888 · protein
Ketosynthase from module 1 of the bacillaene synthase from bacillus amyloliquefaciens FZB42
5ELP · NRPS/PKS protein: “Ketosynthase from module 1 of the bacillaene synthase from bacillus amyloliquefaciens FZB42”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #117888 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5ELP
- Type
- protein
- Length
- 2,167 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NRPS/PKS protein
- UniProt
- Q1RS73
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 31% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | NRPS/PKS protein | protein | 557 | 33% helix, 19% strand | Q1RS73 |
| A | NRPS/PKS protein | protein | 540 | 32% helix, 21% strand | Q1RS73 |
| B | NRPS/PKS protein | protein | 547 | 32% helix, 19% strand | Q1RS73 |
| D | NRPS/PKS protein | protein | 523 | 29% helix, 20% strand | Q1RS73 |
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1146 | 0.78 | 0.80 | 87 | empty |
| 2 | 1162 | 0.74 | 0.77 | 94 | empty |
| 3 | 389 | 0.70 | 0.82 | 39 | empty |
| 4 | 302 | 0.65 | 0.81 | 39 | empty |
| 5 | 431 | 0.64 | 0.77 | 57 | empty |
Interfaces
3 interfaces between chains.
- C–A · 491 Ų buried · 9 hydrogen bonds · protein-protein
- C–D · 349 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 260 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5ELP · Ketosynthase from module 1 of the bacillaene synthase from Bacillus amyloliquefaciens… · the same entry in another collection · chain C against C, 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 Q1RS73
- Elsewhere: RCSB PDB 5ELP · PDBe 5ELP · UniProt Q1RS73
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