1j4r

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spinqualitylabelsall models PDB ID 1j4r Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image
, 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

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