Research workbench
Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with an imidazolinone herbicide, imazaquin
Analyse Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1Z8N
- Type
- protein
- Length
- 582 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetolactate synthase
- EC
- 2.2.1.6
- UniProt
- P17597
- Ligands
- 1IQ, FAD, TPP, MG
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetolactate synthase (EC 2.2.1.6) | protein | 582 | 40% helix, 16% strand | P17597 |
Ligands and binding sites
- 1IQ · 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)quinoline-3-carboxylic acid · ligand · 2 copies · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- TPP · Thiamine diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A
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 | 646 | 0.80 | 0.85 | 91 | MG, FAD, TPP |
| 2 | 110 | 0.50 | 0.81 | 24 | empty |
| 3 | 140 | 0.44 | 0.76 | 23 | 1IQ, NHE |
| 4 | 65 | 0.30 | 0.74 | 12 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 1Z8N · Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With An… · the same entry in another collection · chain A against A, TM-score 1.00
- P17597 · AlphaFold monomer V2.0 prediction for acetolactate synthase, chloroplastic (P17597) · 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 P17597
- Elsewhere: RCSB PDB 1Z8N · PDBe 1Z8N · UniProt P17597
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