MolNFT v1 · #36300 · protein
Crystal structure of the regulatory subunit of acetohydroxyacid synthase isozyme III from E. COLI
2F1F · Acetolactate synthase isozyme III small subunit: “Crystal structure of the regulatory subunit of acetohydroxyacid synthase isozyme III from E. COLI”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.59). MolNFT v1…
- PDB
- 2F1F
- Type
- protein
- Length
- 321 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetolactate synthase isozyme III small subunit
- EC
- 2.2.1.6
- UniProt
- P00894
- Ligands
- MG
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetolactate synthase isozyme III small subunit (EC 2.2.1.6) | protein | 163 | 30% helix, 40% strand | P00894 |
| B | Acetolactate synthase isozyme III small subunit (EC 2.2.1.6) | protein | 158 | 28% helix, 43% strand | P00894 |
Ligands and binding sites
- MG · Magnesium ion · metal · 6 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 51 | 0.59 | 0.92 | 20 | empty |
| 2 | 79 | 0.44 | 0.80 | 14 | empty |
| 3 | 148 | 0.44 | 0.76 | 25 | empty |
| 4 | 93 | 0.38 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2212 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 2F1F · Crystal structure of the regulatory subunit of acetohydroxyacid synthase isozyme III from… · the same entry in another collection · chain A against A, TM-score 1.00
- P00894 · AlphaFold monomer V2.0 prediction for acetolactate synthase isozyme 3 small subunit… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P00894
- Elsewhere: RCSB PDB 2F1F · PDBe 2F1F · UniProt P00894
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