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BMRB: 26046

2ND3

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

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS17:SG
2	disulfide	sing	1:CYS9:SG	1: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)

	Total	¹H	¹³C	¹⁵N
All	82.6 % (379 of 459)	92.7 % (230 of 248)	64.5 % (111 of 172)	97.4 % (38 of 39)
Backbone	86.6 % (194 of 224)	98.6 % (73 of 74)	75.4 % (86 of 114)	97.2 % (35 of 36)
Sidechain	72.9 % (199 of 273)	90.2 % (157 of 174)	40.6 % (39 of 96)	100.0 % (3 of 3)
Aromatic	100.0 % (28 of 28)	100.0 % (14 of 14)	100.0 % (14 of 14)
Methyl	100.0 % (18 of 18)	100.0 % (9 of 9)	100.0 % (9 of 9)

1. entity

QCYTFRSECT NKEFTVCRPN PEEVEKEARR TKEEECRK

Show sample condition

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

#	Name	Isotope labeling	Concentration
1	EEH_04	[U-10% 13C; U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	50 mM
3	DSS	natural abundance	4 uM
4	D2O	[U-99% 2H]	10 %
5	sodium azide	natural abundance	0.02 %

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 , Abstract

Entries sharing articles BMRB: 12 entries Detail

  BMRB: 30204 released on 2017-03-16
    Title Solution structure of the de novo mini protein gHH_44
  BMRB: 30067 released on 2016-09-21
    Title Solution structure of the de novo miniprotein EHE_06
  BMRB: 30069 released on 2016-09-21
    Title Solution structure of the de novo miniprotein EEHE_02
  BMRB: 30138 released on 2016-09-15
    Title NMR Solution Structure of Designed Peptide NC_HEE_D1
  BMRB: 30140 released on 2016-09-15
    Title NMR Solution Structure of Designed Peptide NC_EHE_D1
  BMRB: 30141 released on 2016-09-15
    Title NMR Solution Structure of Designed Peptide NC_EEH_D2
  BMRB: 30142 released on 2016-09-15
    Title NMR Solution Structure of Designed Peptide NC_EEH_D1
  BMRB: 30143 released on 2016-09-15
    Title NMR Solution Structure of Designed Peptide NC_cHH_D1
  BMRB: 30144 released on 2016-09-15
    Title NMR Solution Structure of Designed Peptide NC_cHh_DL_D1
  BMRB: 30145 released on 2016-09-15
    Title NMR Solution Structure of Designed Peptide NC_cHHH_D1
  BMRB: 30146 released on 2016-09-15
    Title NMR Solution Structure of Designed Peptide NC_cEE_D1
  BMRB: 26045 released on 2016-09-12
    Title Solution structure of the de novo mini protein HHH_06

Related entities 1. EEH 04, : 1 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC