1wc7

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PDB ID 1wc7

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, resolution 2.33Å
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Ligands: and
Coordinates: save as pdb, mmCIF, xml



FAB FRAGMENT OF PLP-DEPENDENT CATALYTIC ANTIBODY 15A9 IN COMPLEX WITH PHOSPHOPYRIDOXYL-L-ALANINE


Overview

The purification, crystallization and structure determination at 2.3 A resolution of the complex of the pyridoxal-5'-phosphate (PLP) dependent catalytic antibody 15A9 with a phosphopyridoxyl-L-alanine (PPL-L-alanine) substrate analogue are described. The crystal belongs to space group P2(1), with two molecules in the asymmetric unit related by non-crystallographic symmetry. The unit-cell parameters are a = 63.5, b = 81.7, c = 79.3 A and beta is fortuitously 90 degrees . Refinement of the structure converged at unacceptably high R factors. Although the traditional analysis of intensity distribution did not indicate twinning, pseudomerohedral twinning was revealed by a newer test based on local intensity differences [Padilla & Yeates (2003), Acta Cryst. D59, 1124-1130]. When the potential twinning operator was included in SHELX, the structure could be satisfactorily refined with a twinning fraction of 0.46, indicating a nearly perfect hemihedrally twinned crystal. One of the active sites is occupied by the phosphopyridoxyl-L-alanine ligand, while one iodide ion mimics the cofactor phosphate group in the other. Four other iodide ions are present in the structure: two are involved in specific intermolecular contacts and two dictate the conformation of the CDRH3 loop in each molecule.

About this Structure

1WC7 is a Single protein structure of sequence from Mus musculus. Full crystallographic information is available from OCA.

Reference

Structure of a pseudomerohedrally twinned monoclinic crystal form of a pyridoxal phosphate-dependent catalytic antibody., Golinelli-Pimpaneau B, Acta Crystallogr D Biol Crystallogr. 2005 Apr;61(Pt 4):472-6. Epub 2005, Mar 24. PMID:15805602

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