1j4r
From Proteopedia
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|PDB= 1j4r |SIZE=350|CAPTION= <scene name='initialview01'>1j4r</scene>, resolution 1.80Å | |PDB= 1j4r |SIZE=350|CAPTION= <scene name='initialview01'>1j4r</scene>, resolution 1.80Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <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>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> |
| - | |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] | + | |ACTIVITY= <span class='plainlinks'>[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] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1j4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1j4r OCA], [http://www.ebi.ac.uk/pdbsum/1j4r PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1j4r RCSB]</span> | ||
}} | }} | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Sheriff, S.]] | [[Category: Sheriff, S.]] | ||
| - | [[Category: 001]] | ||
| - | [[Category: GOL]] | ||
| - | [[Category: SO4]] | ||
[[Category: inhibitor]] | [[Category: inhibitor]] | ||
[[Category: rotamase]] | [[Category: rotamase]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:28:48 2008'' |
Revision as of 18:28, 30 March 2008
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| , resolution 1.80Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , | ||||||
| Activity: | Peptidylprolyl isomerase, with EC number 5.2.1.8 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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 Sun Mar 30 21:28:48 2008
