Research workbench
Hybrid acetohydroxyacid synthase complex structure with cryptococcus neoformans ahas catalytic subunit and saccharomyces cerevisiae ahas regulatory subunit
Analyse Hybrid acetohydroxyacid synthase complex structure with cryptococcus neoformans… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6WO1
- Type
- protein
- Length
- 748 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetohydroxyacid synthase catalytic subunit; Acetohydroxyacid synthase regulatory subunit
- EC
- 2.2.1.6
- UniProt
- Q96VZ6, C7GQK9
- Ligands
- FAD, 8GF, DPO, VAL, MG
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetohydroxyacid synthase catalytic subunit (EC 2.2.1.6) | protein | 551 | 41% helix, 17% strand | Q96VZ6 |
| B | Acetohydroxyacid synthase regulatory subunit | protein | 197 | 41% helix, 35% strand | C7GQK9 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- 8GF · 2-methylpyrimidin-4-amine · ligand · chains A
- DPO · Diphosphate · ligand · chains A
- VAL · Valine · ligand · chains B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 395 | 0.75 | 0.85 | 55 | FAD |
| 2 | 335 | 0.57 | 0.76 | 37 | empty |
| 3 | 58 | 0.36 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 523 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6WO1 · Hybrid acetohydroxyacid synthase complex structure with Cryptococcus neoformans AHAS… · 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 Q96VZ6
- Every structure of UniProt C7GQK9
- Elsewhere: RCSB PDB 6WO1 · PDBe 6WO1 · UniProt Q96VZ6 · UniProt C7GQK9
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