2buc

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|PDB= 2buc |SIZE=350|CAPTION= <scene name='initialview01'>2buc</scene>, resolution 2.50&Aring;
|PDB= 2buc |SIZE=350|CAPTION= <scene name='initialview01'>2buc</scene>, resolution 2.50&Aring;
|SITE= <scene name='pdbsite=AC1:So4+Binding+Site+For+Chain+D'>AC1</scene>
|SITE= <scene name='pdbsite=AC1:So4+Binding+Site+For+Chain+D'>AC1</scene>
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=008:(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE'>008</scene>
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|LIGAND= <scene name='pdbligand=008:(S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC+ACID+AMIDE'>008</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5]
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span>
|GENE=
|GENE=
 +
|DOMAIN=
 +
|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2buc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2buc OCA], [http://www.ebi.ac.uk/pdbsum/2buc PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2buc RCSB]</span>
}}
}}
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[[Category: Rummey, C.]]
[[Category: Rummey, C.]]
[[Category: Thiemann, M.]]
[[Category: Thiemann, M.]]
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[[Category: 008]]
 
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[[Category: NAG]]
 
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[[Category: NDG]]
 
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[[Category: SO4]]
 
[[Category: aminopeptidase]]
[[Category: aminopeptidase]]
[[Category: complex]]
[[Category: complex]]
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[[Category: transmembrane]]
[[Category: transmembrane]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:06:51 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:11:51 2008''

Revision as of 23:11, 30 March 2008

Image:2buc.gif


PDB ID 2buc

Drag the structure with the mouse to rotate
, resolution 2.50Å
Sites:
Ligands: , , ,
Activity: Dipeptidyl-peptidase IV, with EC number 3.4.14.5
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



CRYSTAL STRUCTURE OF PORCINE DIPEPTIDYL PEPTIDASE IV (CD26) IN COMPLEX WITH A TETRAHYDROISOQUINOLINE INHIBITOR


Overview

The co-crystal structure of beta-phenethylamine fragment inhibitor 5 bound to DPP-IV revealed that the phenyl ring occupied the proline pocket of the enzyme. This finding provided the basis for a general hypothesis of a reverse binding mode for beta-phenethylamine-based DPP-IV inhibitors. Novel inhibitor design concepts that obviate substrate-like structure-activity relationships (SAR) were thereby enabled, and novel, potent inhibitors were discovered.

About this Structure

2BUC is a Single protein structure of sequence from Sus scrofa. Full crystallographic information is available from OCA.

Reference

The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors., Nordhoff S, Cerezo-Galvez S, Feurer A, Hill O, Matassa VG, Metz G, Rummey C, Thiemann M, Edwards PJ, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1744-8. Epub 2006 Jan 11. PMID:16376544

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