1J4R

FK506 BINDING PROTEIN COMPLEXED WITH FKB-001

Summary for 1J4R

• Entry DOI: 10.2210/pdb1j4r/pdb
• Descriptor: FK506-BINDING PROTEIN, 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, GLYCEROL, ... (5 entities in total)
• Functional Keywords: rotamase, inhibitor, isomerase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm, cytosol : P62942
• Total number of polymer chains: 3
• Total formula weight: 37667.89

Authors

Sheriff, S. (deposition date: 2001-10-29, release date: 2001-12-19, Last modification date: 2023-08-16)

Primary citation

Dubowchik, G.M.,Vrudhula, V.M.,Dasgupta, B.,Ditta, J.,Chen, T.,Sheriff, S.,Sipman, K.,Witmer, M.,Tredup, J.,Vyas, D.M.,Verdoorn, T.A.,Bollini, S.,Vinitsky, A.
2-Aryl-2,2-difluoroacetamide FKBP12 ligands: synthesis and X-ray structural studies.
Org.Lett., 3:3987-3990, 2001

PubMed Abstract: [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.

PubMed: 11735566
DOI: 10.1021/ol0166909

Experimental method

X-RAY DIFFRACTION (1.8 Å)