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Structure of the Humicola insolens cellobiohydrolase Cel6A D416A mutant in complex with a non-hydrolysable substrate analogue, methyl cellobiosyl-4-thio-beta-cellobioside, at 1.9 A.
Varrot A, Frandsen TP, Driguez H, Davies GJ. Varrot A, et al. Acta Crystallogr D Biol Crystallogr. 2002 Dec;58(Pt 12):2201-4. doi: 10.1107/s0907444902017006. Epub 2002 Nov 23. Acta Crystallogr D Biol Crystallogr. 2002. PMID: 12454501
Here, the structure of the D416A mutant of the H. insolens cellobiohydrolase Cel6A in complex with a non-hydrolysable thiooligosaccharide methyl cellobiosyl-4-thio-beta-cellobioside at 1.9 A resolution is presented. Substrate distortion in the -1 subsite, to a
Here, the structure of the D416A mutant of the H. insolens cellobiohydrolase Cel6A in complex with a non-hydrolysable thiooligosaccha …
Mycobacterium tuberculosis strains possess functional cellulases.
Varrot A, Leydier S, Pell G, Macdonald JM, Stick RV, Henrissat B, Gilbert HJ, Davies GJ. Varrot A, et al. J Biol Chem. 2005 May 27;280(21):20181-4. doi: 10.1074/jbc.C500142200. Epub 2005 Apr 11. J Biol Chem. 2005. PMID: 15824123
Here we show that M. tuberculosis H37Rv does indeed possess a functional cellulase. The x-ray crystal structure of this enzyme, in ligand complex forms, from 1.9 to 1.1A resolution, reveals a highly conserved substrate-binding cleft, which affords similar, and unusu …
Here we show that M. tuberculosis H37Rv does indeed possess a functional cellulase. The x-ray crystal structure of this enzyme, in li …
NAD+ and metal-ion dependent hydrolysis by family 4 glycosidases: structural insight into specificity for phospho-beta-D-glucosides.
Varrot A, Yip VL, Li Y, Rajan SS, Yang X, Anderson WF, Thompson J, Withers SG, Davies GJ. Varrot A, et al. J Mol Biol. 2005 Feb 18;346(2):423-35. doi: 10.1016/j.jmb.2004.11.058. Epub 2005 Jan 7. J Mol Biol. 2005. PMID: 15670594
A further curiosity of this family is that closely related enzymes may show specificity for either alpha-d- or beta-d-glycosides. ...Comparison of the active-center structure with that of the 6-phospho-alpha-glucosidase GlvA from Bacillus subtilis reveals a striking
A further curiosity of this family is that closely related enzymes may show specificity for either alpha-d- or beta-d-glycosides. ...
Structural basis for ligand binding and processivity in cellobiohydrolase Cel6A from Humicola insolens.
Varrot A, Frandsen TP, von Ossowski I, Boyer V, Cottaz S, Driguez H, Schülein M, Davies GJ. Varrot A, et al. Structure. 2003 Jul;11(7):855-64. doi: 10.1016/s0969-2126(03)00124-2. Structure. 2003. PMID: 12842048
The cellobiohydrolase Cel6A displays an active site within a tunnel formed by two extended loops, which are known to open and close in response to ligand binding. Here we present five structures of wild-type and mutant forms of Cel6A from Humicola insolens in complex with …
The cellobiohydrolase Cel6A displays an active site within a tunnel formed by two extended loops, which are known to open and close i …
Direct observation of the protonation state of an imino sugar glycosidase inhibitor upon binding.
Varrot A, Tarling CA, Macdonald JM, Stick RV, Zechel DL, Withers SG, Davies GJ. Varrot A, et al. J Am Chem Soc. 2003 Jun 25;125(25):7496-7. doi: 10.1021/ja034917k. J Am Chem Soc. 2003. PMID: 12812472
Atomic resolution analysis of the endoglucanase, Cel5A, in complex with a cellobio-derived isofagomine in conjunction with the pH dependence of Ki and kcat/KM reveals that this compound binds as a protonated sugar. ...
Atomic resolution analysis of the endoglucanase, Cel5A, in complex with a cellobio-derived isofagomine in conjunction with the pH dep …
Distortion of a cellobio-derived isofagomine highlights the potential conformational itinerary of inverting beta-glucosidases.
Varrot A, Macdonald J, Stick RV, Pell G, Gilbert HJ, Davies GJ. Varrot A, et al. Chem Commun (Camb). 2003 Apr 21;(8):946-7. doi: 10.1039/b301592k. Chem Commun (Camb). 2003. PMID: 12744312
A cellobio-derived isofagomine glycosidase inhibitor (Ki approximately 400 nM) displays an unusual distorted 2,5B (boat) conformation upon binding to cellobiohydrolase Cel6A from Humicola insolens, highlighting the different conformational itineraries used by various glyco
A cellobio-derived isofagomine glycosidase inhibitor (Ki approximately 400 nM) displays an unusual distorted 2,5B (boat) conformation
Direct experimental observation of the hydrogen-bonding network of a glycosidase along its reaction coordinate revealed by atomic resolution analyses of endoglucanase Cel5A.
Varrot A, Davies GJ. Varrot A, et al. Acta Crystallogr D Biol Crystallogr. 2003 Mar;59(Pt 3):447-52. doi: 10.1107/s0907444902023405. Epub 2003 Feb 21. Acta Crystallogr D Biol Crystallogr. 2003. PMID: 12595701
Here, atomic resolution ( approximately 1 A) analysis of a series of complexes of the 34 kDa catalytic core domain of the Bacillus agaradhaerens endoglucanase Cel5A is presented. Cel5A is a 'retaining' endoglucanase which performs catalysis via the formation …
Here, atomic resolution ( approximately 1 A) analysis of a series of complexes of the 34 kDa catalytic core domain of the Baci …
Mapping the conformational itinerary of beta-glycosidases by X-ray crystallography.
Davies GJ, Ducros VM, Varrot A, Zechel DL. Davies GJ, et al. Among authors: varrot a. Biochem Soc Trans. 2003 Jun;31(Pt 3):523-7. doi: 10.1042/bst0310523. Biochem Soc Trans. 2003. PMID: 12773149 Review.
A number of retaining beta-glycosidases acting on gluco -configured substrates have been trapped in Michaelis and covalent intermediate complexes in (1)S(3) (skew-boat) and (4)C(1) (chair) conformations, respectively, pointing to a (4)H(3)-conformed transition state
A number of retaining beta-glycosidases acting on gluco -configured substrates have been trapped in Michaelis and covalent intermedia
Atomic resolution structure of endoglucanase Cel5A in complex with methyl 4,4II,4III,4IV-tetrathio-alpha-cellopentoside highlights the alternative binding modes targeted by substrate mimics.
Varrot A, Schülein M, Fruchard S, Driguez H, Davies GJ. Varrot A, et al. Acta Crystallogr D Biol Crystallogr. 2001 Nov;57(Pt 11):1739-42. doi: 10.1107/s0907444901013993. Epub 2001 Oct 25. Acta Crystallogr D Biol Crystallogr. 2001. PMID: 11679762
Those that have been reported so far have revealed two modes of binding: those in which the substrate adopts a distorted skew-boat or envelope conformation in the -1 subsite, reflecting the distortion observed during the catalytic cycle, and those which bypass the true cat …
Those that have been reported so far have revealed two modes of binding: those in which the substrate adopts a distorted skew-boat or …
Structure and function of Humicola insolens family 6 cellulases: structure of the endoglucanase, Cel6B, at 1.6 A resolution.
Davies GJ, Brzozowski AM, Dauter M, Varrot A, Schülein M. Davies GJ, et al. Among authors: varrot a. Biochem J. 2000 May 15;348 Pt 1(Pt 1):201-7. Biochem J. 2000. PMID: 10794732 Free PMC article.
However, this enzyme shows no activity on crystalline substrates but a high activity on soluble substrates, which is typical of an endoglucanase. The three-dimensional structure reveals that the deletion of just a single loop of the active site, coupled with the res …
However, this enzyme shows no activity on crystalline substrates but a high activity on soluble substrates, which is typical of an en …
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