2mas: Difference between revisions

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[[Image:2mas.gif|left|200px]]<br /><applet load="2mas" size="350" color="white" frame="true" align="right" spinBox="true"
[[Image:2mas.gif|left|200px]]
caption="2mas, resolution 2.3&Aring;" />
 
'''PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR'''<br />
{{Structure
|PDB= 2mas |SIZE=350|CAPTION= <scene name='initialview01'>2mas</scene>, resolution 2.3&Aring;
|SITE= <scene name='pdbsite=S1:Description+Not+Provided'>S1</scene>, <scene name='pdbsite=S2:Description+Not+Provided'>S2</scene>, <scene name='pdbsite=S3:Description+Not+Provided'>S3</scene> and <scene name='pdbsite=S4:Description+Not+Provided'>S4</scene>
|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene> and <scene name='pdbligand=PIR:2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL'>PIR</scene>
|ACTIVITY= [http://en.wikipedia.org/wiki/Purine_nucleosidase Purine nucleosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.1 3.2.2.1]
|GENE= IU-NH FROM C. FASCICULATA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5656 Crithidia fasciculata])
}}
 
'''PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR'''
 


==Overview==
==Overview==
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==About this Structure==
==About this Structure==
2MAS is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Crithidia_fasciculata Crithidia fasciculata] with <scene name='pdbligand=CA:'>CA</scene> and <scene name='pdbligand=PIR:'>PIR</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Purine_nucleosidase Purine nucleosidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.2.1 3.2.2.1] Known structural/functional Sites: <scene name='pdbsite=S1:Description+Not+Provided'>S1</scene>, <scene name='pdbsite=S2:Description+Not+Provided'>S2</scene>, <scene name='pdbsite=S3:Description+Not+Provided'>S3</scene> and <scene name='pdbsite=S4:Description+Not+Provided'>S4</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MAS OCA].  
2MAS is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Crithidia_fasciculata Crithidia fasciculata]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2MAS OCA].  


==Reference==
==Reference==
Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor., Degano M, Almo SC, Sacchettini JC, Schramm VL, Biochemistry. 1998 May 5;37(18):6277-85. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9572842 9572842]
Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor., Degano M, Almo SC, Sacchettini JC, Schramm VL, Biochemistry. 1998 May 5;37(18):6277-85. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9572842 9572842]
[[Category: Crithidia fasciculata]]
[[Category: Crithidia fasciculata]]
[[Category: Purine nucleosidase]]
[[Category: Purine nucleosidase]]
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[[Category: uridine]]
[[Category: uridine]]


''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:07:26 2008''
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:46:54 2008''

Revision as of 18:46, 20 March 2008

File:2mas.gif


PDB ID 2mas

Drag the structure with the mouse to rotate
, resolution 2.3Å
Sites: , , and
Ligands: and
Gene: IU-NH FROM C. FASCICULATA (Crithidia fasciculata)
Activity: Purine nucleosidase, with EC number 3.2.2.1
Coordinates: save as pdb, mmCIF, xml



PURINE NUCLEOSIDE HYDROLASE WITH A TRANSITION STATE INHIBITOR


OverviewOverview

Nucleoside N-ribohydrolases are targets for disruption of purine salvage in the protozoan parasites. The structure of a trypanosomal N-ribohydrolase in complex with a transition-state inhibitor is reported at 2.3 A resolution. The nonspecific nucleoside hydrolase from Crithidia fasciculata cocrystallized with p-aminophenyliminoribitol reveals tightly bound Ca2+ as a catalytic site ligand. The complex with the transition-state inhibitor is characterized by (1) large protein conformational changes to create a hydrophobic leaving group site (2) C3'-exo geometry for the inhibitor, typical of a ribooxocarbenium ion (3) stabilization of the ribooxocarbenium analogue between the neighboring group 5'-hydroxyl and bidentate hydrogen bonds to Asn168; and (4) octacoordinate Ca2+ orients a catalytic site water and is liganded to two hydroxyls of the inhibitor. The mechanism is ribooxocarbenium stabilization with weak leaving group activation and is a departure from glucohydrolases which use paired carboxylates to achieve the transition state.

About this StructureAbout this Structure

2MAS is a Single protein structure of sequence from Crithidia fasciculata. Full crystallographic information is available from OCA.

ReferenceReference

Trypanosomal nucleoside hydrolase. A novel mechanism from the structure with a transition-state inhibitor., Degano M, Almo SC, Sacchettini JC, Schramm VL, Biochemistry. 1998 May 5;37(18):6277-85. PMID:9572842

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