5TZO

Computationally Designed Fentanyl Binder - Fen49*-Complex

Summary for 5TZO

• Entry DOI: 10.2210/pdb5tzo/pdb
• Related: 5TVV 5TVY
• Descriptor: Endo-1,4-beta-xylanase A, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide, POTASSIUM ION, ... (5 entities in total)
• Functional Keywords: computational design, fentanyl, hydrolase
• Biological source: Bacillus subtilis (strain 168)
• Total number of polymer chains: 3
• Total formula weight: 63542.22

Authors

Bick, M.J.,Greisen, P.J.,Morey, K.J.,Antunes, M.S.,La, D.,Sankaran, B.,Reymond, L.,Johnsson, K.,Medford, J.I.,Baker, D. (deposition date: 2016-11-22, release date: 2017-10-04, Last modification date: 2024-03-06)

• Primary citation: Bick, M.J.,Greisen, P.J.,Morey, K.J.,Antunes, M.S.,La, D.,Sankaran, B.,Reymond, L.,Johnsson, K.,Medford, J.I.,Baker, D.; Computational design of environmental sensors for the potent opioid fentanyl.; Elife, 6:-, 2017; PubMed: 28925919; DOI: 10.7554/eLife.28909

Experimental method

X-RAY DIFFRACTION (1.67 Å)