Research workbench
E. COLI beta-ketoacyl (acyl carrier protein) synthase I, 120 K
Analyse E. COLI beta-ketoacyl (acyl carrier protein) synthase I, 120 K in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BUH
- Type
- protein
- Length
- 1,624 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxoacyl-[acyl-carrier-protein] synthase I
- EC
- 2.3.1.41
- UniProt
- P14926
- Ligands
- NH4
- Pockets
- 10 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | 3-oxoacyl-[acyl-carrier-protein] synthase I (EC 2.3.1.41) | protein | 406 | 38% helix, 22% strand | P14926 |
Ligands and binding sites
- NH4 · Ammonium ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.64 | 0.85 | 34 | empty |
| 2 | 178 | 0.64 | 0.84 | 35 | empty |
| 3 | 173 | 0.63 | 0.84 | 35 | empty |
| 4 | 138 | 0.60 | 0.84 | 30 | empty |
| 5 | 168 | 0.46 | 0.76 | 25 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2993 Ų buried · 48 hydrogen bonds · protein-protein
- A–B · 2961 Ų buried · 51 hydrogen bonds · protein-protein
- A–C · 241 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 123 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 116 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2BUH · E. COLI beta-ketoacyl (acyl carrier protein) synthase I, 120 K · 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 P14926
- Elsewhere: RCSB PDB 2BUH · PDBe 2BUH · UniProt P14926
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