MolNFT v1 · #5077 · protein

2-F-glucosylated myrosinase from sinapis alba with bound L-ascorbate

1E73 · Myrosinase MA1: “2-F-glucosylated myrosinase from sinapis alba with bound L-ascorbate”. X-ray diffraction, 9 ligands (ASC, G2F, NAG), 2 pockets (best druggability 0.72). MolNFT v1 #5077 on GenesisL1: 3D structure, binding sites and…

PDB: 1E73
Type: protein
Length: 499 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Myrosinase MA1
EC: 3.2.1.147
UniProt: P29736
Ligands: ASC, G2F, NAG, BMA, XYP, FUC, MAN, ZN, SO4
Pockets: 2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
M	Myrosinase MA1 (EC 3.2.1.147)	protein	499	43% helix, 18% strand	P29736

Ligands and binding sites

ASC · Ascorbic acid · ligand · chains M
G2F · 2-deoxy-2-fluoro-alpha-D-glucopyranose · ligand · chains M
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains M
BMA · beta-D-mannopyranose · sugar · 2 copies
XYP · beta-D-xylopyranose · sugar · 2 copies
FUC · alpha-L-fucopyranose · sugar · 2 copies · chains M
MAN · alpha-D-mannopyranose · sugar · 2 copies · chains M
ZN · Zinc ion · metal · chains M
SO4 · Sulfate ion · ion · 8 copies · chains M
GOL · Glycerol · additive · 4 copies · chains M

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	529	0.72	0.81	46	ASC, G2F, SO4
2	177	0.44	0.74	30	empty

Modifications

Observed in the structure: 9 glycan, 3 disulfide, 1 covalent (N-glycosylation, disulfide, covalent ligand).

Compared structures

1E73 · 2-F-glucosylated MYROSINASE FROM SINAPIS ALBA with bound L-ascorbate · the same entry in another collection · chain M against M, TM-score 1.00
P29736 · AlphaFold monomer V2.0 prediction for myrosinase MA1 (P29736) · a predicted model of the same protein · chain M 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 P29736
Elsewhere: RCSB PDB 1E73 · PDBe 1E73 · UniProt P29736

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