MolNFT v1 · #127071 · protein

Plantago major multifunctional oxidoreductase V150M mutant in complex with citral and NADP+

5MLR · Progesterone 5-beta-reductase: “Plantago major multifunctional oxidoreductase V150M mutant in complex with citral and NADP+”. X-ray diffraction, 4 ligands (GRQ, NAP, NA), 1 pocket (best druggability 0.83). MolNFT v1 #127071 on…

PDB: 5MLR
Type: protein
Length: 364 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Progesterone 5-beta-reductase
EC: 1.1.1.145
UniProt: D6N9X1
Ligands: GRQ, NAP, NA, CL
Pockets: 1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Progesterone 5-beta-reductase (EC 1.1.1.145)	protein	364	42% helix, 13% strand	D6N9X1

Ligands and binding sites

GRQ · Geranaldehyde · ligand · 2 copies · chains A
NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
NA · Sodium ion · metal · 2 copies · chains A
CL · Chloride ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	374	0.83	0.91	54	CL, GRQ, NAP

Compared structures

5MLR · Plantago Major multifunctional oxidoreductase V150M mutant in complex with citral and… · 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 D6N9X1
Elsewhere: RCSB PDB 5MLR · PDBe 5MLR · UniProt D6N9X1

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.