Research workbench
S266A mutant 3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 0.1MPa - complex with IPM and Mg
Analyse S266A mutant 3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WZX
- Type
- protein
- Length
- 364 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- Shewanella oneidensis MR-1
- Molecule
- 3-isopropylmalate dehydrogenase
- EC
- 1.1.1.85
- UniProt
- Q8E9N3
- Ligands
- IPM, MG
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · resolution 1.9 · 1 distinct chain · 48% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-isopropylmalate dehydrogenase (EC 1.1.1.85) | protein | 364 | 48% helix, 18% strand | Q8E9N3 |
Ligands and binding sites
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 | 249 | 0.56 | 0.77 | 25 | empty |
| 2 | 200 | 0.54 | 0.78 | 37 | IPM, MG |
| 3 | 115 | 0.47 | 0.79 | 23 | empty |
Compared structures
- 3WZX · S266A mutant 3-isopropylmalate dehydrogenase from shewanella oneidensis mr-1 at 0.1MPA… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8E9N3 · AlphaFold monomer V2.0 prediction for 3-isopropylmalate dehydrogenase (Q8E9N3) · 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 Q8E9N3
- Elsewhere: RCSB PDB 3WZX · PDBe 3WZX · UniProt Q8E9N3
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