1e6r
From Proteopedia
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| - | [[Image:1e6r.gif|left|200px]] | + | [[Image:1e6r.gif|left|200px]] |
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| - | '''CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH INHIBITOR ALLOSAMIDIN''' | + | {{Structure |
| + | |PDB= 1e6r |SIZE=350|CAPTION= <scene name='initialview01'>1e6r</scene>, resolution 2.50Å | ||
| + | |SITE= <scene name='pdbsite=AMA:Ami+Binding+Site+For+Chain+B'>AMA</scene> | ||
| + | |LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=AMI:ALLOSAMIZOLINE'>AMI</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH INHIBITOR ALLOSAMIDIN''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1E6R is a [ | + | 1E6R is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Serratia_marcescens Serratia marcescens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1E6R OCA]. |
==Reference== | ==Reference== | ||
| - | Structural insights into the catalytic mechanism of a family 18 exo-chitinase., van Aalten DM, Komander D, Synstad B, Gaseidnes S, Peter MG, Eijsink VG, Proc Natl Acad Sci U S A. 2001 Jul 31;98(16):8979-84. PMID:[http:// | + | Structural insights into the catalytic mechanism of a family 18 exo-chitinase., van Aalten DM, Komander D, Synstad B, Gaseidnes S, Peter MG, Eijsink VG, Proc Natl Acad Sci U S A. 2001 Jul 31;98(16):8979-84. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11481469 11481469] |
[[Category: Serratia marcescens]] | [[Category: Serratia marcescens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: inhibitor allosamidin]] | [[Category: inhibitor allosamidin]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 10:50:41 2008'' |
Revision as of 08:50, 20 March 2008
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| , resolution 2.50Å | |||||||
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| Coordinates: | save as pdb, mmCIF, xml | ||||||
CHITINASE B FROM SERRATIA MARCESCENS WILDTYPE IN COMPLEX WITH INHIBITOR ALLOSAMIDIN
Overview
Chitinase B (ChiB) from Serratia marcescens is a family 18 exo-chitinase whose catalytic domain has a TIM-barrel fold with a tunnel-shaped active site. We have solved structures of three ChiB complexes that reveal details of substrate binding, substrate-assisted catalysis, and product displacement. The structure of an inactive ChiB mutant (E144Q) complexed with a pentameric substrate (binding in subsites -2 to +3) shows closure of the "roof" of the active site tunnel. It also shows that the sugar in the -1 position is distorted to a boat conformation, thus providing structural evidence in support of a previously proposed catalytic mechanism. The structures of the active enzyme complexed to allosamidin (an analogue of a proposed reaction intermediate) and of the active enzyme soaked with pentameric substrate show events after cleavage of the glycosidic bond. The latter structure shows reopening of the roof of the active site tunnel and enzyme-assisted product displacement in the +1 and +2 sites, allowing a water molecule to approach the reaction center. Catalysis is accompanied by correlated structural changes in the core of the TIM barrel that involve conserved polar residues whose functions were hitherto unknown. These changes simultaneously contribute to stabilization of the reaction intermediate and alternation of the pKa of the catalytic acid during the catalytic cycle.
About this Structure
1E6R is a Single protein structure of sequence from Serratia marcescens. Full crystallographic information is available from OCA.
Reference
Structural insights into the catalytic mechanism of a family 18 exo-chitinase., van Aalten DM, Komander D, Synstad B, Gaseidnes S, Peter MG, Eijsink VG, Proc Natl Acad Sci U S A. 2001 Jul 31;98(16):8979-84. PMID:11481469
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