1j4r

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[[Image:1j4r.gif|left|200px]]<br /><applet load="1j4r" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1j4r.gif|left|200px]]
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caption="1j4r, resolution 1.80&Aring;" />
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'''FK506 BINDING PROTEIN COMPLEXED WITH FKB-001'''<br />
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{{Structure
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|PDB= 1j4r |SIZE=350|CAPTION= <scene name='initialview01'>1j4r</scene>, resolution 1.80&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=001:1-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC+ACID+4-PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-BUTYL+ESTER'>001</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8]
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|GENE=
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}}
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'''FK506 BINDING PROTEIN COMPLEXED WITH FKB-001'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1J4R is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=001:'>001</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Peptidylprolyl_isomerase Peptidylprolyl isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.2.1.8 5.2.1.8] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1J4R OCA].
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1J4R is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1J4R OCA].
==Reference==
==Reference==
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2-Aryl-2,2-difluoroacetamide FKBP12 ligands: synthesis and X-ray structural studies., Dubowchik GM, Vrudhula VM, Dasgupta B, Ditta J, Chen T, Sheriff S, Sipman K, Witmer M, Tredup J, Vyas DM, Verdoorn TA, Bollini S, Vinitsky A, Org Lett. 2001 Dec 13;3(25):3987-90. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11735566 11735566]
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2-Aryl-2,2-difluoroacetamide FKBP12 ligands: synthesis and X-ray structural studies., Dubowchik GM, Vrudhula VM, Dasgupta B, Ditta J, Chen T, Sheriff S, Sipman K, Witmer M, Tredup J, Vyas DM, Verdoorn TA, Bollini S, Vinitsky A, Org Lett. 2001 Dec 13;3(25):3987-90. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11735566 11735566]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Peptidylprolyl isomerase]]
[[Category: Peptidylprolyl isomerase]]
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[[Category: rotamase]]
[[Category: rotamase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:18:53 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:58:51 2008''

Revision as of 09:58, 20 March 2008

Image:1j4r.gif


PDB ID 1j4r

Drag the structure with the mouse to rotate
, resolution 1.80Å
Ligands: , and
Activity: Peptidylprolyl isomerase, with EC number 5.2.1.8
Coordinates: save as pdb, mmCIF, xml



FK506 BINDING PROTEIN COMPLEXED WITH FKB-001


Overview

[structure: see text] 2-Aryl-2,2-difluoroacetamido-proline and pipecolate esters are high affinity FKBP12 ligands whose rotamase inhibitory activity is comparable to that seen for the corresponding ketoamides. X-ray structural studies suggest that the fluorine atoms participate in discrete interactions with the Phe36 phenyl ring and the Tyr26 hydroxyl group, with the latter resembling a moderate-to-weak hydrogen bond.

About this Structure

1J4R is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

2-Aryl-2,2-difluoroacetamide FKBP12 ligands: synthesis and X-ray structural studies., Dubowchik GM, Vrudhula VM, Dasgupta B, Ditta J, Chen T, Sheriff S, Sipman K, Witmer M, Tredup J, Vyas DM, Verdoorn TA, Bollini S, Vinitsky A, Org Lett. 2001 Dec 13;3(25):3987-90. PMID:11735566

Page seeded by OCA on Thu Mar 20 11:58:51 2008

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