2bub

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|PDB= 2bub |SIZE=350|CAPTION= <scene name='initialview01'>2bub</scene>, resolution 2.66&Aring;
|PDB= 2bub |SIZE=350|CAPTION= <scene name='initialview01'>2bub</scene>, resolution 2.66&Aring;
|SITE= <scene name='pdbsite=AC1:Fpb+Binding+Site+For+Chain+B'>AC1</scene>
|SITE= <scene name='pdbsite=AC1:Fpb+Binding+Site+For+Chain+B'>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> and <scene name='pdbligand=FPB:N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE'>FPB</scene>
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|LIGAND= <scene name='pdbligand=FPB:N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE'>FPB</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</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=
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|DOMAIN=
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bub FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bub OCA], [http://www.ebi.ac.uk/pdbsum/2bub PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bub RCSB]</span>
}}
}}
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[[Category: Rummey, C.]]
[[Category: Rummey, C.]]
[[Category: Thiemann, M.]]
[[Category: Thiemann, M.]]
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[[Category: FPB]]
 
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[[Category: NAG]]
 
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[[Category: NDG]]
 
[[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 16:06:50 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:2bub.gif


PDB ID 2bub

Drag the structure with the mouse to rotate
, resolution 2.66Å
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 HUMAN DIPEPTIDYL PEPTIDASE IV (CD26) IN COMPLEX WITH A REVERSED AMIDE 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

2BUB is a Single protein structure of sequence from Homo sapiens. 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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