Research workbench
Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam
Analyse Crystal structure of candida albicans acetohydroxyacid synthase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6DER
- Type
- protein
- Length
- 600 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetolactate synthase
- EC
- 2.2.1.6
- UniProt
- A0A1D8PJF9
- Ligands
- FAD, G87, TZD, TP9, K, MG
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetolactate synthase (EC 2.2.1.6) | protein | 600 | 44% helix, 17% strand | A0A1D8PJF9 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- G87 · Metosulam · 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
- TP9 · (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate · ligand · chains A
- K · Potassium ion · metal · chains A
- MG · Magnesium ion · metal · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 521 | 0.79 | 0.86 | 73 | FAD, TZD, TP9 |
| 2 | 165 | 0.59 | 0.83 | 24 | empty |
| 3 | 144 | 0.50 | 0.79 | 26 | empty |
| 4 | 125 | 0.41 | 0.75 | 16 | K |
| 5 | 50 | 0.24 | 0.72 | 12 | empty |
Compared structures
- 6DER · Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the… · 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 A0A1D8PJF9
- Elsewhere: RCSB PDB 6DER · PDBe 6DER · UniProt A0A1D8PJF9
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