MolNFT v1 · #95817 · protein
Crystal structure of a ketoreductase domain from the bacillaene assembly line
4J1S · Polyketide synthase pksj: “Crystal structure of a ketoreductase domain from the bacillaene assembly line”. X-ray diffraction, 2 pockets (best druggability 0.73). MolNFT v1 #95817 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4J1S
- Type
- protein
- Length
- 417 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide synthase pksj
- EC
- 1.1.1.100
- UniProt
- P40806
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide synthase pksj (EC 1.1.1.100) | protein | 417 | 43% helix, 23% strand | P40806 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 566 | 0.73 | 0.81 | 65 | empty |
| 2 | 411 | 0.68 | 0.81 | 42 | empty |
Compared structures
- 4J1S · Crystal structure of a ketoreductase domain from the bacillaene assembly line · 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 4J1S · PDBe 4J1S · UniProt P40806
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