Crystal Structure of P-selectin Lectin/EGF domains

During inflammation, leukocytes tether and roll on the walls of vessels where they are to become active. E-, L- and P-selectin proteins are the primary units responsible for the tethering and rolling of these leukocytes. The following is a series of images of the crystalline structure of the P-selectin complex.

P-selectin Lectin/EGF domains (click 2xs)

Views

Spin off

Spin on

One of the domains in P-selectin is the B chain:

B chain strands (displays peptide backbone)

B chain cartoon

Another domain similar to the B chain of P-selectin is the Colipase domain:

Colipase Strands

Colipase cartoon

B chain and Colipase cartoon

There are various ligands associated with the P-selectin complex. These are 4 calcium ions (shown as single spherical units) and 2 MPD heteroatoms (2-methyl-2,4-Pentanediol).

Ligands

B chain and Colipase cartoon with ligands

Cartoon Structure of P-selectin (EGF domain is labeled in yellow and green)

P-selectin is not a membrane protein. It can be found circulating in the blood. Because of this, the protein hydrophilically interacts with water molecules.

Original Settings (click button 2xs)

Spin off

Spin on

Hydration sphere

Hydration sphere interacting with P-selectin

Hydration sphere interacting with P-selectin and ligands

Hydration sphere interacting with ligands only

The active site of P-selectin is of Ser, His and Asp residues:

    *Note: when zooming in or out on an image, click the button two times to achieve the desired magnification.

Original Settings

Spin off

Spin on

Ser - His - Asp active site

Zoom to Active Site

Lipase/PC Active Site

Detailed Active Site

Spin off

Spin on

References:

*W. D. Hanley, K Konstantopoulos and D. Wirtz, "Receptor-Ligand Binding: 'Catch' Bonds Finally Caught"

    Current Biology, Volume 13, R611-R613: August 5, 2003.

*W. S. Somers, J. Tand, G. D. Shaw, R. T. Camphausen, "Insights into the molecular basis of Leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to slex and PSGL-1"

    Cell, Volume 103, page 467: 2000.

*N. Silva and D. Marcey, "An Introduction to Chime Scripting", David Marcey 2001

This project was completed by Chad Powers and Annalisa Jordan (Fall 2003)