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Solution structure of the de novo mini protein EEH_04
Authors
Eletsky, A., Bahl, C.D., Gilmore, J.M., Buchko, G.W., Baker, D.
Assembly
EEH 04
Entity
1. EEH 04 (polymer, Thiol state: all disulfide bound), 38 monomers, 4655.142 Da Detail

QCYTFRSECT NKEFTVCRPN PEEVEKEARR TKEEECRK


Formula weight
4655.142 Da
Entity Connection
disulfide 2 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS2:SG1:CYS17:SG
2disulfidesing1:CYS9:SG1:CYS36:SG

Exptl. method
solution NMR
Refine. method
distance geometry, molecular dynamics
Data set
assigned_chemical_shifts, spectral_peak_list
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 82.6 %, Completeness (bb): 86.6 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All82.6 % (379 of 459)92.7 % (230 of 248)64.5 % (111 of 172)97.4 % (38 of 39)
Backbone86.6 % (194 of 224)98.6 % (73 of 74)75.4 % (86 of 114)97.2 % (35 of 36)
Sidechain72.9 % (199 of 273)90.2 % (157 of 174)40.6 % (39 of 96)100.0 % (3 of 3)
Aromatic100.0 % (28 of 28)100.0 % (14 of 14)100.0 % (14 of 14)
Methyl100.0 % (18 of 18)100.0 % (9 of 9)100.0 % (9 of 9)

1. entity

QCYTFRSECT NKEFTVCRPN PEEVEKEARR TKEEECRK

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details [U-100% 15N,U-10% 13C] labeled EEH_04


#NameIsotope labelingTypeConcentration
1EEH_04[U-10% 13C; U-100% 15N]1 mM
2sodium phosphatenatural abundance50 mM
3DSSnatural abundance4 uM
4D2O[U-99% 2H]10 %
5sodium azidenatural abundance0.02 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2ND3, Strand ID: A Detail


Release date
2016-09-12
Citation
Accurate de novo design of hyperstable constrained peptides
Bhardwaj, G., Mulligan, V.K., Bahl, C.D., Gilmore, J.M., Harvey, P.J., Cheneval, O., Buchko, G.W., Pulavarti, S.V., Kaas, Q., Eletsky, A., Huang, P.S., Johnsen, W.A., Greisen, P.J., Rocklin, G.J., Song, Y., Linsky, T.W., Watkins, A., Rettie, S.A., Xu, X., Carter, L.P., Bonneau, R., Olson, J.M., Coutsias, E., Correnti, C.E., Szyperski, T., Craik, D.J., Baker, D.
Nature (2016), 538, 329-335, PubMed 27626386 , DOI 10.1038/nature19791 ,
Related entities 1. EEH 04, : 1 entities Detail
Experiments performed 13 experiments Detail
NMR combined restraints 4 contents Detail
Keywords NMR, Solution structure, engineered protein