Research workbench
Crystal structure of a beta-ketoacyl synthase from burkholderia phymatum STM815
Analyse Crystal structure of a beta-ketoacyl synthase from burkholderia phymatum STM815 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EWG
- Type
- protein
- Length
- 817 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-ketoacyl synthase
- UniProt
- B2JEW3
- Ligands
- CA
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-ketoacyl synthase | protein | 409 | 39% helix, 22% strand | B2JEW3 |
| B | Beta-ketoacyl synthase | protein | 408 | 38% helix, 21% strand | B2JEW3 |
Ligands and binding sites
- CA · Calcium ion · metal · chains B
- IMD · Imidazole · additive · 5 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 157 | 0.82 | 0.97 | 48 | EDO |
| 2 | 162 | 0.70 | 0.89 | 30 | empty |
| 3 | 187 | 0.70 | 0.87 | 30 | empty |
| 4 | 90 | 0.37 | 0.76 | 21 | empty |
| 5 | 81 | 0.35 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 3119 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 4EWG · Crystal structure of a Beta-ketoacyl synthase from Burkholderia phymatum STM815 · 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 B2JEW3
- Elsewhere: RCSB PDB 4EWG · PDBe 4EWG · UniProt B2JEW3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.