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BMRB: 30361


30361
6BES
Solution structure of de novo macrocycle design11_ss
Authors
Shortridge, M.D., Hosseinzadeh, P., Pardo-Avila, F., Varani, G., Baker, D.
Assembly
(DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN)
Entity
1. (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) (polymer, Thiol state: not present), 11 monomers, 1198.326 Da Detail

XQXXXDSXXP X


Formula weight
1198.326 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 36.4 %, Completeness: 100.0 %, Completeness (bb): 100.0 % Detail
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Polymer type: polypeptide(D)

Total1H
All100.0 % (23 of 23)100.0 % (23 of 23)
Backbone100.0 % (7 of 7)100.0 % (7 of 7)
Sidechain100.0 % (16 of 16)100.0 % (16 of 16)

1. entity 1

XQXXXDSXXP X

Show sample condition
Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 278 K, pH 5.5, Details 5 mg/mL Design 11_ss, 5 % v/v [U-99% 2H] glycerol, 90% H2O/10% D2O


#NameIsotope labelingTypeConcentration
1Design 11_ssnatural abundance5 mg/mL
2glycerol[U-99% 2H]5 % v/v

Protein Blocks Logo
Calculated from 20 models in PDB: 6BES, Strand ID: A Detail

Release date
2017-12-20
Citation
Comprehensive computational design of ordered peptide macrocycles
Hosseinzadeh, P., Bhardwaj, G., Mulligan, V.K., Shortridge, M.D., Craven, T.W., Pardo-Avila, F., Rettie, S.A., Kim, D.E., Silva, D.A., Ibrahim, Y.M., Webb, I.K., Cort, J.R., Adkins, J.N., Varani, G., Baker, D.
Science (2017), 358, 1461-1466, PubMed 29242347 , DOI 10.1126/science.aap7577 ,
Entries sharing articles BMRB: 11 entries Detail
  BMRB: 30359 released on 2018-01-02
    Title Solution structure of de novo macrocycle design10.1
  BMRB: 30365 released on 2018-01-02
    Title Solution structure of de novo macrocycle design7.3a
  BMRB: 30366 released on 2018-01-02
    Title Solution structure of de novo macrocycle design7.3a
  BMRB: 30355 released on 2018-01-01
    Title Solution structure of de novo macrocycle Design8.1
  BMRB: 30356 released on 2017-12-20
    Title Solution structure of de novo macrocycle design7.1
  BMRB: 30357 released on 2017-12-20
    Title Solution structure of de novo macrocycle design8.2
  BMRB: 30358 released on 2017-12-20
    Title Solution structure of de novo macrocycle design9.1
  BMRB: 30360 released on 2017-12-20
    Title Solution structure of de novo macrocycle design10.2
  BMRB: 30362 released on 2017-12-20
    Title Solution structure of de novo macrocycle design12_ss
  BMRB: 30363 released on 2017-12-20
    Title Solution structure of de novo macrocycle design14_ss
  BMRB: 30364 released on 2017-12-20
    Title Solution structure of de novo macrocycle design7.2
Experiments performed 4 experiments Detail
NMR combined restraints 3 contents Detail
Keywords DE NOVO PROTEIN, de novo, macrocycle