MolNFT v1 · #125301 · protein

Menthone neomenthol reductase from mentha piperita in complex with NADP

5L53 · (-)-menthone:(+)-neomenthol reductase: “Menthone neomenthol reductase from mentha piperita in complex with NADP”. X-ray diffraction, 1 ligand (NAP), 2 pockets (best druggability 0.58). MolNFT v1 #125301 on GenesisL1: 3D structure…

PDB: 5L53
Type: protein
Length: 294 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: (-)-menthone:(+)-neomenthol reductase
EC: 1.1.1.208
UniProt: Q06ZW2
Ligands: NAP
Pockets: 2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	(-)-menthone:(+)-neomenthol reductase (EC 1.1.1.208)	protein	294	52% helix, 14% strand	Q06ZW2

Ligands and binding sites

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	329	0.58	0.76	40	NAP
2	106	0.43	0.77	18	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

5L53 · Menthone neomenthol reductase from Mentha piperita in complex with NADP · 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 Q06ZW2
Elsewhere: RCSB PDB 5L53 · PDBe 5L53 · UniProt Q06ZW2

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