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The Binding Mechanism of a Peptidylic Cyclic Serine Protease Inhibitor - extended upain
Authors
Svane, A.S.P., Jensen, J.K., Nielsen, J.T., Nielsen, N.CHR., Malmendal, A.
Assembly
extended upain
Entity
1. extended upain (polymer, Thiol state: all disulfide bound), 25 monomers, 2276.536 Da Detail

XMGSADGACS WRGLENHAMC GAAGX


Formula weight
2276.536 Da
Exptl. method
SOLUTION NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 92.0 %, Completeness: 82.0 %, Completeness (bb): 69.1 % Detail

Polymer type: polypeptide(L)

Total1H13C
All82.0 % (155 of 189)100.0 % (108 of 108)58.0 % (47 of 81)
Backbone69.1 % (76 of 110)100.0 % (46 of 46)46.9 % (30 of 64)
Sidechain94.8 % (92 of 97)100.0 % (62 of 62)85.7 % (30 of 35)
Aromatic100.0 % (15 of 15)100.0 % (8 of 8)100.0 % (7 of 7)
Methyl64.3 % (9 of 14)100.0 % (7 of 7)28.6 % (2 of 7)

1. extended upain

XMGSADGACS WRGLENHAMC GAAGX

Sample

Solvent system 90% H2O/10% D2O, Temperature 278 K, pH 7.4, Details 278 K


#NameIsotope labelingTypeConcentration
1extended upainnatural abundance2 mM
2H2Onatural abundance90 %
3D2Onatural abundance10 %

Release date
2012-08-06
Citation
The binding mechanism of a peptidic cyclic serine protease inhibitor
Jiang, L., Svane, A.S.P., Sorensen, H., Jensen, J.K., Hosseini, M., Chen, Z., Weydert, C., Nielsen, J.T., Christensen, A., Yuan, C., Jensen, K.J., Nielsen, N.CHR., Malmendal, A., Huang, M., Andreasen, P.A.
J. Mol. Biol. (2011), 412, 235-250, PubMed 21802428 , DOI 10.1016/j.jmb.2011.07.028 ,
Related entities 1. extended upain, : 1 : 2 entities Detail
Experiments performed 4 experiments Detail
Keywords cyclic, inhibitor, protease