Research workbench
Structure of class II hmg-CoA reductase from delftia acidovorans with mevalonate bound
Analyse Structure of class II hmg-CoA reductase from delftia acidovorans with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6EEV
- Type
- protein
- Length
- 374 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxy-3-methylglutaryl coenzyme a reductase
- EC
- 1.1.1.88
- UniProt
- A9BQX8
- Ligands
- MEV, GLC, FRU, SO4
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxy-3-methylglutaryl coenzyme a reductase (EC 1.1.1.88) | protein | 374 | 47% helix, 20% strand | A9BQX8 |
Ligands and binding sites
- MEV · (R)-mevalonate · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
- FRU · beta-D-fructofuranose · sugar · 2 copies · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 618 | 0.69 | 0.78 | 67 | SO4 |
| 2 | 61 | 0.30 | 0.75 | 18 | MEV |
| 3 | 62 | 0.28 | 0.73 | 13 | empty |
Compared structures
- 6EEV · Structure of class II HMG-CoA reductase from Delftia acidovorans with mevalonate bound · 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 A9BQX8
- Elsewhere: RCSB PDB 6EEV · PDBe 6EEV · UniProt A9BQX8
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