MolNFT v1 · #84000 · protein
3-isopropylmalate dehydrogenase from shewanella oneidensis mr-1 at 580MPA - complex with ipm and mg
3WZW: “3-isopropylmalate dehydrogenase from shewanella oneidensis mr-1 at 580MPA - complex with ipm and mg”. X-ray diffraction, 2 ligands (IPM, MG), 3 pockets (best druggability 0.56). MolNFT v1 #84000 on GenesisL1: 3D structure, binding…
- PDB
- 3WZW
- Type
- protein
- Length
- 364 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-isopropylmalate dehydrogenase
- EC
- 1.1.1.85
- UniProt
- Q8E9N3
- Ligands
- IPM, MG
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-isopropylmalate dehydrogenase (EC 1.1.1.85) | protein | 364 | 49% 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 | 307 | 0.56 | 0.76 | 32 | empty |
| 2 | 174 | 0.52 | 0.79 | 25 | IPM, MG |
| 3 | 140 | 0.47 | 0.78 | 25 | empty |
Compared structures
- 3WZW · 3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 580MPa - complex with… · 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 3WZW · PDBe 3WZW · UniProt Q8E9N3
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