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Protein allostery of the WW domain at atomic resolution
Authors
Strotz, D., Orts, J., Friedmann, M., Guntert, P., Vogeli, B., Riek, R.
Assembly
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8)
Entity
1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8) (polymer, Thiol state: not present), 35 monomers, 4098.521 Da Detail

SKLPPGWEKR MSRNSGRVYY FNHITNASQF ERPSG


Formula weight
4098.521 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 97.1 %, Completeness: 80.7 %, Completeness (bb): 75.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All80.7 % (346 of 429)91.2 % (207 of 227)64.6 % (104 of 161)85.4 % (35 of 41)
Backbone75.5 % (154 of 204)94.3 % (66 of 70)56.9 % (58 of 102)93.8 % (30 of 32)
Sidechain82.9 % (213 of 257)86.0 % (135 of 157)80.2 % (73 of 91)55.6 % (5 of 9)
Aromatic55.8 % (29 of 52)65.4 % (17 of 26)44.0 % (11 of 25)100.0 % (1 of 1)
Methyl100.0 % (16 of 16)100.0 % (8 of 8)100.0 % (8 of 8)

1. entity 1

SKLPPGWEKR MSRNSGRVYY FNHITNASQF ERPSG

Sample

Solvent system 97% H2O/3% D2O, Pressure 1 atm, Temperature 277.15 K, pH 6.0, Details 1.2 mM [U-100% 13C; U-100% 15N] Pin1 WW domain, 4.8 mM pCdc25C, 97% H2O/3% D2O


#NameIsotope labelingTypeConcentration
1Pin1 WW domain[U-100% 13C; U-100% 15N]1.2 mM
2pCdc25Cnatural abundance4.8 mM
3K2PO4natural abundance10 mM
4NaClnatural abundance100 mM
5NaN3natural abundance0.02 %

Release date
2019-11-06
Citation
Protein Allostery at Atomic Resolution
Strotz, D., Orts, J., Kadavath, H., Friedmann, M., Ghosh, D., Olsson, S., Chi, C.N., Guntert, P., Vogeli, B., Riek, R.
Angew. Chem Int Ed Engl. (2020), 59, 22132-22139, PubMed 32797659 , DOI 10.1002/anie.202008734 ,
Related entities 1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), : 1 : 2 : 3 : 421 entities Detail
Interaction partners 1. Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (E.C.5.2.1.8), : 141 interactors Detail
Experiments performed 1 experiments Detail
Chemical shift validation 3 contents Detail
Keywords PEPTIDE BINDING PROTEIN, STRUCTURE FROM CYANA 3.98.12