1bwy
From Proteopedia
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NMR STUDY OF BOVINE HEART FATTY ACID BINDING PROTEIN
Overview
The three-dimensional structure of the holo form of recombinant cellular, bovine heart fatty-acid-binding protein (H-FABPc), a polypeptide of 133, amino acid residues with a molecular mass of 15 kDa, has been determined, by multidimensional homonuclear and heteronuclear NMR spectroscopy applied, to uniformly 15N-labeled and unlabeled protein. A nearly complete set of, 1H and 15N chemical shift assignments was obtained. A total of 2329, intramolecular distance constraints and 42 side-chain chi 1 dihedral-angle, constraints were derived from cross-relaxation and J coupling information., 3D nuclear Overhauser enhancement and exchange spectroscopy combined with, heteronuclear multiple-quantum coherence (NOESY-HMQC) experiments, performed on a sample of uniformly 13C-labeled palmitic acid bound to, unlabeled cellular heart fatty-acid-binding protein revealed 10, intermolecular contacts that determine the orientation of the bound fatty, acid. An ensemble of protein conformations was calculated with the, distance-geometry algorithm for NMR applications (DIANA) using the, redundant dihedral-angle constraint (REDAC) strategy. After docking the, fatty acid into the protein, the protein-ligand arrangement was subject to, distance-restrained energy minimization. The overall conformation of the, protein is a beta-barrel consisting of 10 antiparallel beta-strands which, form two nearly orthogonal beta-sheets of five strands each. Two short, helices form a helix-turn-helix motif in the N-terminal region of the, polypeptide chain. The palmitic acid is bound within the protein in a, U-shaped conformation close to the two helices. The obtained solution, structure of the protein is consistent with a number of, fatty-acid-binding-protein crystal structures.
About this Structure
1BWY is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.
Reference
Three-dimensional structure of bovine heart fatty-acid-binding protein with bound palmitic acid, determined by multidimensional NMR spectroscopy., Lassen D, Lucke C, Kveder M, Mesgarzadeh A, Schmidt JM, Specht B, Lezius A, Spener F, Ruterjans H, Eur J Biochem. 1995 May 15;230(1):266-80. PMID:7601110
Page seeded by OCA on Tue Nov 20 11:58:56 2007
