MolNFT v1 · #32726 · protein
E.COLI kas I H298E mutation
2BYY · 3-oxoacyl-[acyl-carrier-protein] synthase I: “E.COLI kas I H298E mutation”. X-ray diffraction, 1 ligand (NH4), 11 pockets (best druggability 0.74). MolNFT v1 #32726 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2BYY
- Type
- protein
- Length
- 1,620 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
- 11 · best druggability 0.74
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 | 405 | 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
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.74 | 0.89 | 48 | empty |
| 2 | 53 | 0.71 | 0.98 | 17 | empty |
| 3 | 162 | 0.65 | 0.86 | 36 | empty |
| 4 | 149 | 0.65 | 0.86 | 33 | empty |
| 5 | 156 | 0.63 | 0.85 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3003 Ų buried · 49 hydrogen bonds · protein-protein
- C–D · 2988 Ų buried · 55 hydrogen bonds · protein-protein
- A–C · 427 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2BYY · E.coli KAS I H298E Mutation · 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 2BYY · PDBe 2BYY · UniProt P14926
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