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Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in complex with bispyribac-sodium
Analyse Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7U25
- Type
- protein
- Length
- 582 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetolactate synthase, chloroplastic
- EC
- 2.2.1.6
- UniProt
- P17597
- Ligands
- 6QL, FAD, TZD, MG, SO4
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetolactate synthase, chloroplastic (EC 2.2.1.6) | protein | 582 | 40% helix, 17% strand | P17597 |
Ligands and binding sites
- 6QL · 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid · ligand · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- TZD · 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogen diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 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
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 664 | 0.81 | 0.85 | 85 | MG, FAD, TZD, SO4 |
| 2 | 56 | 0.36 | 0.79 | 16 | empty |
| 3 | 73 | 0.31 | 0.74 | 14 | empty |
| 4 | 63 | 0.30 | 0.75 | 16 | empty |
| 5 | 55 | 0.27 | 0.74 | 14 | empty |
Compared structures
- 7U25 · Crystal structure of arabidopsis thaliana acetohydroxyacid synthase W574L mutant in… · 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 7U25 · PDBe 7U25 · UniProt P17597
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