Research workbench
Beta-ketoacyl carrier protein synthase as a drug target, implications from the crystal structure of a complex with the inhibitor cerulenin.
Analyse Beta-ketoacyl carrier protein synthase as a drug target, implications from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1B3N
- Type
- protein
- Length
- 411 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (ketoacyl acyl carrier protein synthase 2)
- EC
- 2.3.1.41
- UniProt
- P0AAI5
- Ligands
- CER
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (ketoacyl acyl carrier protein synthase 2) (EC 2.3.1.41) | protein | 411 | 38% helix, 21% strand | P0AAI5 |
Ligands and binding sites
- CER · (2S, 3R)-3-hydroxy-4-oxo-7,10-trans,trans-dodecadienamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.68 | 0.82 | 47 | CER |
| 2 | 81 | 0.39 | 0.78 | 14 | empty |
| 3 | 56 | 0.25 | 0.72 | 14 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1B3N · Beta-ketoacyl carrier protein synthase as a drug target, implications from the crystal… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AAI5 · AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 2… · a predicted model of the same protein · 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 P0AAI5
- Elsewhere: RCSB PDB 1B3N · PDBe 1B3N · UniProt P0AAI5
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