Research workbench
Isopiperitenone reductase from mentha piperita in complex with NADP and beta-cyclocitral
Analyse Isopiperitenone reductase from mentha piperita in complex with NADP and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5L4S
- 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
- 6KX, NAP
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | (-)-isopiperitenone reductase (EC 1.3.1.82) | protein | 310 | 52% helix, 14% strand | Q6WAU1 |
Ligands and binding sites
- 6KX · beta-cyclocitral · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 481 | 0.81 | 0.88 | 54 | 6KX, NAP |
| 2 | 70 | 0.34 | 0.76 | 17 | empty |
Compared structures
- 5L4S · Isopiperite reductase from Mentha piperita in complex with NADP and beta-Cyclocitral · 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 5L4S · PDBe 5L4S · UniProt Q6WAU1
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