2BVE

Structure of the N-terminal of Sialoadhesin in complex with 2-Phenyl- Prop5Ac

Summary for 2BVE

• Entry DOI: 10.2210/pdb2bve/pdb
• Related: 1OD7 1OD9 1ODA 1QFO 1QFP 1URL
• Descriptor: SIALOADHESIN, benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid (3 entities in total)
• Functional Keywords: immune system, immunoglobulin, lectin, superfamily, carbohydrate binding, siglec, inhibitor design, cell adhesion
• Biological source: MUS MUSCULUS (MOUSE)
• Total number of polymer chains: 2
• Total formula weight: 27465.05

Authors

Zaccai, N.R.,May, A.P.,Robinson, R.C.,Burtnick, L.D.,Crocker, P.,Brossmer, R.,Kelm, S.,Jones, E.Y. (deposition date: 2005-06-27, release date: 2006-07-19, Last modification date: 2023-12-13)

Primary citation

Zaccai, N.R.,May, A.P.,Robinson, R.C.,Burtnick, L.D.,Crocker, P.,Brossmer, R.,Kelm, S.,Jones, E.Y.
Crystallographic and in Silico Analysis of the Sialoside-Binding Characteristics of the Siglec Sialoadhesin.
J.Mol.Biol., 365:1469-, 2007

PubMed Abstract: The Siglec family of receptors mediates cell-surface interactions through recognition of sialylated glycoconjugates. Previously reported structures of the N-terminal domain of the Siglec sialoadhesin (SnD1) in complex with various sialic acid analogs revealed the structural template for sialic acid binding. To characterize further the carbohydrate-binding properties, we have determined the crystal structures of SnD1 in the absence of ligand, and in complex with 2-benzyl-Neu5NPro and 2-benzyl-Neu5NAc. These structures reveal that SnD1 undergoes very few structural changes on ligand binding and detail how two novel classes of sialic acid analogs bind, one of which unexpectedly can induce Siglec dimerization. In conjunction with in silico analysis, this set of structures informs us about the design of putative ligands with enhanced binding affinities and specificities to different Siglecs, and provides data with which to test the effectiveness of different computational drug design protocols.

PubMed: 17137591
DOI: 10.1016/J.JMB.2006.10.084

Experimental method

X-RAY DIFFRACTION (2.2 Å)