Prediction of 3-D structures of fucose-binding proteins and structural analysis of their interaction with ligands
IR@IICB: CSIR-Indian Institute of Chemical Biology, Kolkata
View Archive Info| Field | Value | |
| Title |
Prediction of 3-D structures of fucose-binding
proteins and structural analysis of their interaction
with ligands
|
|
| Creator |
Majumder, Sujata
Roy, Avik Mandal, Chhabinath |
|
| Subject |
Drug Development/Diagnostics & Biotechnology
|
|
| Description |
The importance of fucose-binding proteins stems from the presence of fucose as terminal sugars in H and Lewis (a) blood
groups. Recently, the structure of a complex between Anguilla anguilla agglutinin (AAA) and α-L-fucose has been worked
out at 1.9 A resolution. The structure of AAA characterizes the novel fold of an entire lectin family. In the present study,
molecular modeling techniques have been used to identify new proteins that can provide a similar fucose binding module
in the newly discovered genomic sequences using the above mentioned structural information.We modeled 3-D structures
of three such proteins, namely, ebiP5322 protein of Anopheles gambiae, a pentraxin of Xenopus laevis, and the fw gene
product of Drosophila melanogaster. α-L-fucose was docked in the binding pockets of the modeled structures followed by
energy minimization and molecular dynamic runs to obtain the most probable structures of the complexes. Properties of
these modeled complexes were studied to examine the nature of physicochemical forces involved in the complex formation
and compared with AAA-α-L-fucose complex. It was found that ebiP5322 protein of A. gambiae and the pentraxin of X.
laevis can provide a fucose-binding fold similar to AAA.We studied structures of four protein-fucose complexes to examine
the electrostatic potential surfaces around the binding site and concluded that a highly positive-charged surface was not
a necessary condition of fucose-binding.
|
|
| Date |
2004
|
|
| Type |
Article
PeerReviewed |
|
| Format |
application/pdf
|
|
| Identifier |
http://www.eprints.iicb.res.in/561/1/GLYCOCONJUGATE_JOURNA%2C_20(_9)_%2C_545%2D550[98].pdf
Majumder, Sujata and Roy, Avik and Mandal, Chhabinath (2004) Prediction of 3-D structures of fucose-binding proteins and structural analysis of their interaction with ligands. Glycoconjugate Journal , 20 (9). pp. 545-550. |
|
| Relation |
http://dx.doi.org/10.1023/B:GLYC.0000043291.42999.98
http://www.eprints.iicb.res.in/561/ |
|