Jingchu's model

Introduction

Short discussion about Jingchu's model. More data will become available after Jingchu has published this and given the data free for webbing up.

The picture of the backbone given below strongly suggests that this is a two-winged molecule, and also strongly suggests that this molecule has two active sites, one at or near each wing tip.

Bowman-Birk inhibitors are much larger, but nevertheless look like this anti-fungal molecule. Bowman-Birk inhibitors also have a cys-rich core and two wings. However, these inhibitors are surely not related in any way to our anti-fungal.

Looking at the quasi two-fold symmetry in the model, I would not be surprised if the wing plotted at the right hand side should also be a beta-hairpin.

Figure

Model validation report

The WHAT_CHECK output is available. Please interpret this output carefully. Several errors were left in the model deliberately. Please read the modeling article about this. The B-factor and other Xray specific error notes are of course totally irrelevant for a model.

The PDBreport files are:

eps0001.eps a figure in the report.
pdbout.aux auxiliary report file.
pdbout.dvi report in dvi format.
pdbout.tex report in tex format.
pdbout.txt report in dumb text format.
pdbout.ps report as postscript file.
sct0001.eps a figure in the report.
sct0002.eps a figure in the report.
sct0003.eps a figure in the report.
sct0004.eps a figure in the report.

The coordinates

The coordinates will be made available after Jingchu Luo makes them publicly available.

Authors

The work here was done by:

Jingchu Luo
Associate Professor
College of Life sciences
Peking University
Beijing 100871
P.R. China
While being a guest in Mike Sternberg's lab. My (GV) contribution
has been to occasionally provide advise about how to use WHAT IF
optimally, and to make this page.