Research workbench
Streptomcyes albus JA3453 oxazolomycin ketosynthase domain ozmn KS2
Analyse Streptomcyes albus JA3453 oxazolomycin ketosynthase domain ozmn KS2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WKY
- Type
- protein
- Length
- 1,153 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-ketoacyl synthase
- UniProt
- B2WW47
- Ligands
- SO4
- Pockets
- 14 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-ketoacyl synthase | protein | 577 | 36% helix, 21% strand | B2WW47 |
| B | Beta-ketoacyl synthase | protein | 576 | 37% helix, 22% strand | B2WW47 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1155 | 0.83 | 0.84 | 127 | empty |
| 2 | 517 | 0.73 | 0.81 | 67 | GOL |
| 3 | 509 | 0.66 | 0.77 | 43 | empty |
| 4 | 538 | 0.64 | 0.76 | 57 | empty |
| 5 | 105 | 0.61 | 0.87 | 21 | EDO |
Interfaces
1 interface between chains.
- A–B · 2564 Ų buried · 52 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 4WKY · Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmN KS2 · 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 B2WW47
- Elsewhere: RCSB PDB 4WKY · PDBe 4WKY · UniProt B2WW47
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.