MolNFT v1 · #124919 · protein
Ketoreductase from module 3 of the bacillaene synthase from bacillus subtilis 168
5KTK · Polyketide synthase pksj: “Ketoreductase from module 3 of the bacillaene synthase from bacillus subtilis 168”. X-ray diffraction, 1 ligand (NDP), 4 pockets (best druggability 0.76). MolNFT v1 #124919 on GenesisL1: 3D structure…
- PDB
- 5KTK
- Type
- protein
- Length
- 452 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase pksj
- UniProt
- P40806
- Ligands
- NDP
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase pksj | protein | 452 | 37% helix, 23% strand | P40806 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.76 | 0.85 | 51 | NDP |
| 2 | 117 | 0.50 | 0.80 | 22 | empty |
| 3 | 70 | 0.45 | 0.82 | 15 | empty |
| 4 | 86 | 0.34 | 0.74 | 21 | empty |
Compared structures
- 5KTK · Ketoreductase from module 3 of the bacillaene synthase from Bacillus subtilis 168 · 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 P40806
- Elsewhere: RCSB PDB 5KTK · PDBe 5KTK · UniProt P40806
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