A multi-functional shackle structure is composed of a tube. Two ends of the tube are transfixed respectively with a USB (Universal Serial Bus) flash disk and an LED (Light Emitting Diode) illuminating assembly. An end of the USB flash disk is a circuit board which is emplaced in the tube, and the other end is a USB connector which is protruded out of the tube for connecting with a computer to download data. A circuit board lamp holder of the LED illuminating assembly is provided with an LED which is assembled above a battery assembly and a spring, such that when the circuit board lamp holder is displaced downward, the LED can be mutually conducted with the battery assembly to energize and illuminate.