About: Results from MD simulations of the 9E5(Fab)•hEPR complex. A, r.m.s.d. of the backbone of hEPR and the Fv part of 9E5(Fab) between the simulated structures and the x-ray crystal structure. The r.m.s.d. was averaged for the four simulations.

PDB ID – not available

Epiregulin Mechanisms by Anti-epiregulin Antibody 9E5

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Details.

Scientist
HIDEAK FUJITANI
Protein
hEPR
Ligand
Fv part of 9E5 (Fab)
Simulation Duration
1000ns
InChIKey
DRLFMBDRBRZALE-UHFFFAOYSA-N
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Molecular Formula
C13H16N2O2
Protein Details
Catalytic component of the apolipoprotein B mRNA editing enzyme complex which is responsible for the postranscriptional editing of a CAA codon for Gln to a UAA codon for stop in the APOB mRNA.
Ligand Details
Envelope glycoprotein gp160: Oligomerizes in the host endoplasmic reticulum into predominantly trimers. In a second time, gp160 transits in the host Golgi, where glycosylation is completed.
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