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Solution Structure of N-Galactosylated Pin1 WW Domain
Authors
Hsu, C., Park, S., Mortenson, D.E., Foley, L.B., Wang, X., Woods, R.J., Case, D.A., Powers, E.T., Wong, C., Dyson, J.H., Kelly, J.W.
Assembly
N-Galactosylated Pin1 WW Domain
Entity
1. N-Galactosylated Pin1 WW Domain, entity (polymer, Thiol state: not present), 33 monomers, 3844.271 Da Detail

KLPPGWEKRM FANGTVYYFN HITNASQFER PSG


2. BETA-D-GALACTOSE (non-polymer), 180.156 Da
Total weight
4024.427 Da
Max. entity weight
3844.271 Da
Entity Connection
covalent 1 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1covalentsing1:ASN13:ND22:GAL1:C1

Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 99.1 %, Completeness (bb): 100.0 % Detail

Polymer type: polypeptide(L)

Total1H
All99.1 % (211 of 213)99.1 % (211 of 213)
Backbone100.0 % (66 of 66)100.0 % (66 of 66)
Sidechain98.6 % (145 of 147)98.6 % (145 of 147)
Aromatic100.0 % (31 of 31)100.0 % (31 of 31)
Methyl100.0 % (10 of 10)100.0 % (10 of 10)

1. entity

KLPPGWEKRM FANGTVYYFN HITNASQFER PSG

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 6.5


#NameIsotope labelingTypeConcentration
1Pin WW Domain Peptidenatural abundanceprotein1.5 uM
2H2Onatural abundancesolvent90 %
3D2O[U-2H]solvent10 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2NC4, Strand ID: A Detail


Release date
2016-06-02
Citation
The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate
Hsu, C., Park, S., Mortenson, D.E., Foley, L.B., Wang, X., Woods, R.J., Case, D.A., Powers, E.T., Wong, C., Dyson, J.H., Kelly, J.W.
J. Am. Chem. Soc. (2016), 138, 7636-7648, PubMed 27249581 , DOI 10.1021/jacs.6b02879 ,
Related entities 1. N-Galactosylated Pin1 WW Domain, entity, : 1 : 5 : 503 entities Detail
Interaction partners 1. N-Galactosylated Pin1 WW Domain, entity, : 141 interactors Detail
Experiments performed 3 experiments Detail
nullKeywords enhanced aromatic sequon