About: RMSD plot of the MD simulation of fXI:thrombin complex; fxi in green and thrombin red.

PDB ID – not available

Structural insights into the activation of blood coagulation factor XI zymogen by thrombin: A computational molecular dynamics study 1

Download

Information

Details.

Scientist
Shenna Shearin, Divi Venkateswarlu
Protein
Human blood coagulation factor XI zymogen
Ligand
activating enzyme thrombin
Simulation Duration
200-ns
InChIKey
DRLFMBDRBRZALE-UHFFFAOYSA-N
SMILES
CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Molecular Formula
C13H16N2O2
Protein Details
Factor XI (FXI) is the zymogen of a plasma protease, factor XIa (FXIa), that contributes to thrombin generation during blood coagulation by proteolytic activation of several coagulation factors, most notably factor IX (FIX). FXI is a homolog of prekallikrein (PK), a component of the plasma kallikrein-kinin system.
Ligand Details
Also known as coagulation factor II, thrombin is a serine protease that plays a physiological role in regulating hemostasis and maintaining blood coagulation
Attachments