1j4r

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Image:1j4r.gif

1j4r, resolution 1.80Å

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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 with SO4, 001 and GOL as ligands. Active as Peptidylprolyl isomerase, with EC number 5.2.1.8 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

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