Research workbench
Isopiperitenone reductase from mentha piperita in complex with isopiperitenone and NADP
Analyse Isopiperitenone reductase from mentha piperita in complex with isopiperitenone… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5LDG
- Type
- protein
- Length
- 310 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- (-)-isopiperitenone reductase
- EC
- 1.3.1.82
- UniProt
- Q6WAU1
- Ligands
- NAP, IT9
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (-)-isopiperitenone reductase (EC 1.3.1.82) | protein | 310 | 52% helix, 13% strand | Q6WAU1 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- IT9 · (-)-Isopiperitenone · ligand · 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 | 433 | 0.79 | 0.87 | 47 | NAP, IT9 |
| 2 | 65 | 0.33 | 0.76 | 17 | empty |
| 3 | 51 | 0.26 | 0.73 | 14 | empty |
Compared structures
- 5LDG · Isopiperite reductase from Mentha piperita in complex with Isopiperite and NADP · the same entry in another collection · chain A against A, TM-score 1.00
- Q6WAU1 · AlphaFold monomer V2.0 prediction for (-)-isopiperitenone reductase (Q6WAU1) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q6WAU1
- Elsewhere: RCSB PDB 5LDG · PDBe 5LDG · UniProt Q6WAU1
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