... 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...

... motifs and non-conserved residues in distinct positions of TM3/TM4 and ECL2 of claudin-5 essentially contribute to claudin-5 assembly into tight junctions. claudin homology modelling membrane protein mutagenesis tight junction TJs (tight junctions) regulate paracellular permeability...

... 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 Much of the structural diversity found in the sterol biosynthetic pathway is introduced by olefin C-methylation reactions...

... in the sequence of events in EGFR activation compared with that described for the Src kinase Hck. 1 To whom correspondence should be addressed (email rradhak@seas.upenn.edu ). epidermal growth factor receptor (EGFR) homology modelling kinase activation molecular dynamics principal component...

... homology model based on the Bet v 1 crystal structure [ 14 ]. Moreover, we could use this model to map the regions of the protein affected by binding of the substrate dopamine, and analogues of the second substrate 4-HPAA, determined by NMR titration experiments. Additionally, we determined...

... in vivo , followed by death. Overall, these data identify a new biologically active toxin that belongs to a family of peptides active on the ryanodine-sensitive channel. dihydropyridine receptor (DHPR) hemicalcin (HCa) Hemiscorpius lepturus homology modelling ryanodine receptor (RyR) scorpion...

... , 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...

... and N-terminal SBDs are categorized into CBM20 (carbohydrate-binding module family 20) and CBM21 respectively. binding affinity carbohydrate-binding module (CBM) glucoamylase (GA) homology modelling progressive secondary structure correlation (PSSC) starch-binding domain (SBD...

...) 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 consalvi@caspur.it ). 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...

...). The resulting pGEX-mAHAS (where mAHAS is mutant AHAS) was used to transform E. coli XL1-Blue cells using standard CaCl 2 transformation instructions [ 33 ]. acetohydroxy acid synthase conserved amino acids herbicide homology modelling site-directed mutagenesis tobacco The first enzymic step...

...%, 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...

... The Biochemical Society, London ©2002 2002 chimaeric toxins chloramphenicol acetyltransferase homology modelling sequential PCR mutagenesis three-finger toxins Abbreviations used: CAT, chloramphenicol acetyltransferase; CHO, Chinese hamster ovary; CTX, cardiotoxin; GST, glutathione S...

... 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...