1bjj

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PDB ID 1bjj

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, resolution 2.8Å
Ligands:
Activity: Phospholipase A(2), with EC number 3.1.1.4
Coordinates: save as pdb, mmCIF, xml



AGKISTRODOTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS


Overview

The structure of agkistrodotoxin crystallized under basic conditions has been determined at 2.8 A resolution by the molecular-replacement technique and refined to a crystallographic R factor of 0.194 and a free R factor of 0.260 with good stereochemistry. The molecular packing in the crystal differs from other PLA(2)s. The six molecules in the asymmetric unit form three dimers linked by Ca(2+) ions in a near-perfect six-ligand octahedral coordinating system. Extensive intermolecular hydrophobic interactions occur at the interfacial recognition site of each neurotoxin molecule, which provides an insight into phospholipase A(2)-membrane interactions. This hydrophobic interaction-induced molecular association along the interfacial recognition site suggests a self-protection mechanism of agkistrodotoxin.

About this Structure

1BJJ is a Single protein structure of sequence from Gloydius halys. Full crystallographic information is available from OCA.

Reference

Structure of agkistrodotoxin in an orthorhombic crystal form with six molecules per asymmetric unit., Tang L, Zhou YC, Lin ZJ, Acta Crystallogr D Biol Crystallogr. 1999 Dec;55(Pt 12):1986-96. PMID:10666574

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