1BJJ

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

Summary for 1BJJ

• Entry DOI: 10.2210/pdb1bjj/pdb
• Descriptor: AGKISTRODOTOXIN, CALCIUM ION (3 entities in total)
• Functional Keywords: presynaptic neurotoxin, phospholipase a2, hydrolase
• Biological source: Gloydius halys (halys viper)
• Cellular location: Secreted: P14421
• Total number of polymer chains: 6
• Total formula weight: 84403.10

Authors

Tang, L.,Zhou, Y.,Lin, Z. (deposition date: 1998-06-25, release date: 1999-07-29, Last modification date: 2024-11-13)

Primary citation

Tang, L.,Zhou, Y.C.,Lin, Z.J.
Structure of agkistrodotoxin in an orthorhombic crystal form with six molecules per asymmetric unit.
Acta Crystallogr.,Sect.D, 55:1986-1996, 1999

PubMed Abstract: 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.

PubMed: 10666574
DOI: 10.1107/S0907444999012603

Experimental method

X-RAY DIFFRACTION (2.8 Å)