2MUS

HADDOCK calculated model of LIN5001 bound to the HET-s amyloid

Summary for 2MUS

• Entry DOI: 10.2210/pdb2mus/pdb
• Related: 2LBU 2RNM
• NMR Information: BMRB: 11064
• Descriptor: Heterokaryon incompatibility protein s, 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid (2 entities in total)
• Functional Keywords: amyloid fibril, het-s(218-289), parallel beta-sheet, beta-solenoid, prion, luminescent conjugated polythiophene, protein fibril
• Biological source: Podospora anserina (Pleurage anserina)
• Total number of polymer chains: 5
• Total formula weight: 43955.31

Authors

Hermann, U.S.,Schuetz, A.K.,Shirani, H.,Saban, D.,Nuvolone, M.,Huang, D.H.,Li, B.,Ballmer, B.,Aslund, A.K.O.,Mason, J.J.,Rushing, E.,Budka, H.,Hammarstrom, P.,Bockmann, A.,Caflisch, A.,Meier, B.H.,Nilsson, P.K.R.,Hornemann, S.,Aguzzi, A. (deposition date: 2014-09-16, release date: 2017-02-01, Last modification date: 2018-06-13)

• Primary citation: Herrmann, U.S.,Schutz, A.K.,Shirani, H.,Huang, D.,Saban, D.,Nuvolone, M.,Li, B.,Ballmer, B.,Aslund, A.K.,Mason, J.J.,Rushing, E.,Budka, H.,Nystrom, S.,Hammarstrom, P.,Bockmann, A.,Caflisch, A.,Meier, B.H.,Nilsson, K.P.,Hornemann, S.,Aguzzi, A.; Structure-based drug design identifies polythiophenes as antiprion compounds.; Sci Transl Med, 7:299ra123-299ra123, 2015; PubMed: 26246168; DOI: 10.1126/scitranslmed.aab1923

Experimental method

SOLUTION NMR