... is known about active site amino acids and the structure-function relationship with substrates of this enzyme. In the present study, we investigate the active site amino acid and structure-function relationship for this enzyme. Using a combination of three-dimensional homology modeling, molecular docking...

.... claudin homology modelling membrane protein mutagenesis tight junction 2 These authors share last authorship and correspondence may be addressed to either of them (email [email protected] or [email protected] ). All manual manipulations, optimizations of ECL2 and TM models...

... for ACC formation and the other site affects the ACC induction efficiency. Homology modelling demonstrates that the Ca 2+ -binding sites of pentameric ACCBP are arranged in a 5-fold symmetry, which is the structural basis for ACC formation. To the best of our knowledge, this is the first report...

... structure exists for any eukaryotic member of the APC family, and thus the structural determinants critical for function of these permeases are unknown. To elucidate the key residues involved in putrescine translocation and recognition by this APC family member, a homology model of TcPOT1.1 was constructed...

... compilation © 2011 Biochemical Society 2011 homology modelling kinetic isotope effect mutagenesis sterol C-24-methyltransferase (24-SMT) Trypanosoma brucei zymosterol Site-specific mutations at various positions along the pCW- ERG 6 template were carried out using the QuikChange® site...

... for ErbB4 were derived from the structures described by Qiu et al. [ 22 ], PDB codes 3BCE and 3BBW. Structures for ErbB2 were constructed using homology modelling following the procedure described in [ 31 ]. Models for kinase dimers were constructed on the basis of the asymmetric dimer interface described...

... relaxation measurements, and the enzyme was found to be predominantly a monomer at the low micromolar concentrations used for activity assays. Bet v 1 allergen homology modelling norcoclaurine synthase NMR spectroscopy substrate binding BIAs (benzylisoquinoline alkaloids) form an important...

[email protected] ). 12 9 2006 24 1 2007 12 2 2007 12 2 2007 © 2007 Biochemical Society 2007 dihydropyridine receptor (DHPR) hemicalcin (HCa) Hemiscorpius lepturus homology modelling ryanodine receptor (RyR) scorpion toxin Hemiscorpius lepturus is the most...

... , 17090–17095]. Key residues, proposed to be crucial for NH 3 conduction, and the hydrophobic, but obstructed, pore were conserved in a homology model of LeAMT1;1 from tomato. Transport by LeAMT1;1 was affected by mutations of residues that were predicted to constitute the aromatic recruitment site for NH...

... 3 2006 The Biochemical Society, London 2006 binding affinity carbohydrate-binding module (CBM) glucoamylase (GA) homology modelling progressive secondary structure correlation (PSSC) starch-binding domain (SBD) GA (glucoamylase) (1,4-α- D -glucan glucohydrolase, EC 3.2.1.3...

...) Biochem. J. 387 , 591–600], the mechanisms that determine binding of substrate and cause product inhibition of adenosine kinase from Leishmania donovani remained unclear. In the present study, employing homology-model-guided site-specific protein mutagenesis, we show that Asp 16 is indispensable, since...

... to this work. 2 To whom correspondence should be addressed (email [email protected] ). 2 7 2004 2 10 2004 14 10 2004 14 10 2004 The Biochemical Society, London 2005 calcium endo-β-1,3-glucanase guanidinium chloride homology modelling protein stability...

... analysis of the catalytic subunit of yeast AHAS have been reported [ 26 , 27 ]. 30 4 2004 4 6 2004 24 6 2004 24 6 2004 The Biochemical Society, London 2004 acetohydroxy acid synthase conserved amino acids herbicide homology modelling site-directed mutagenesis tobacco...

...%, which is at least 25% higher than the previously reported estimations based on computational predictions. Moreover, the helical content remained unchanged in free and PN-loaded UCP1. A homology model of the first repeat of UCP1, built on the basis of X-ray-solved close parent, the ADP/ATP carrier...

... of homology modelling, ligatoxin B shares a three-dimensional structure with the viscotoxins and purothionins and so may have the same mode of cytotoxic action. The novel similarities observed by structural comparison of the helix–turn–helix (HTH) motifs of the thionins, including ligatoxin B, and the HTH DNA...

... expressed in transfected cultured Chinese hamster ovary cells, resulted in cell lysis, indicating that these cDNAs can be developed as useful cytolytic agents. Key words: chimaeric toxins, chloramphenicol acetyltransferase, homology modelling, sequential PCR mutagenesis, three-finger toxins. CTXs into two...

... domain is succeeded by a putative β-sheet module of 160 amino acids with unknown function, followed by a threonine-rich linker and three fungal docking domains. Homology modelling of the Cel9A dockerins suggested that the cysteine residues present are all involved in disulphide bridges. The results...

... 9 11 2000 The Biochemical Society, London © 2001 2001 amidohydrolase homology modelling hydrophobic cluster analysis pyrazinamide Biochem. J. (2001) 353, 453 458 (Printed in Great Britain) 453 Study of the structure activity relationships for the pyrazinamidase (PncA) from...

...Paul D. McDONAGH; David J. JUDAH; John D. HAYES; Lu-Yun LIAN; Gordon E. NEAL; C. Roland WOLF; Gordon C. K. ROBERTS We have used homology modelling, based on the crystal structure of the human glutathione S-transferase (GST) A1-1, to obtain the three-dimensional structures of rat GSTA3 and rat GSTA5...