MolNFT v1 · #95815 · protein
Crystal structure of a ketoreductase domain from the bacillaene assembly line
4J1Q · Polyketide synthase pksj: “Crystal structure of a ketoreductase domain from the bacillaene assembly line”. X-ray diffraction, 1 ligand (NDP), 1 pocket (best druggability 0.79). MolNFT v1 #95815 on GenesisL1: 3D structure, binding…
- PDB
- 4J1Q
- 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
- Ligands
- NDP
- Pockets
- 1 · best druggability 0.79
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 |
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
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 948 | 0.79 | 0.81 | 107 | NDP |
Compared structures
- 4J1Q · 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 4J1Q · PDBe 4J1Q · UniProt P40806
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