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Solution structure of the estrogen receptor-binding stapled peptide SP1 (Ac-HXILHXLLQDS-NH2)
Authors
Phillips, C., Bazin, R., Bent, A., Davies, N., Moore, R., Pannifer, A., Pickford, A., Prior, S., Read, C., Roberts, L., Schade, M., Scott, A., Brown, D., Xu, B., Irving, S.
Assembly
stapled peptide SP1
Entity
1. stapled peptide SP1 (polymer, Thiol state: not present), 13 monomers, 1353.631 Da Detail

XHXILHXLLQ DSX


Formula weight
1353.631 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 69.2 %, Completeness: 100.0 %, Completeness (bb): 100.0 % Detail

Polymer type: polypeptide(L)

Total1H
All100.0 % (56 of 56)100.0 % (56 of 56)
Backbone100.0 % (18 of 18)100.0 % (18 of 18)
Sidechain100.0 % (38 of 38)100.0 % (38 of 38)
Aromatic100.0 % (4 of 4)100.0 % (4 of 4)
Methyl100.0 % (8 of 8)100.0 % (8 of 8)

1. stapled peptide SP1

XHXILHXLLQ DSX

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
1stapled peptide SP1natural abundance5 (±1.0) mM
2H2Onatural abundance90 (±1.0) %
3D2Onatural abundance10 (±1.0) %
4phosphate buffernatural abundance50 (±1.0) mM
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
5stapled peptide SP1natural abundance5 (±1.0) mM
6D2Onatural abundance100 (±1.0) %
7phosphate buffernatural abundance50 (±1.0) mM

Protein Blocks Logo
Calculated from 10 models in PDB: 2LDC, Strand ID: A Detail


Release date
2011-10-25
Citation
Design and structure of stapled peptides binding to estrogen receptors
Phillips, C., Roberts, L.R., Schade, M., Bazin, R., Bent, A., Davies, N.L., Moore, R., Pannifer, A.D., Pickford, A.R., Prior, S.H., Read, C.M., Scott, A., Brown, D.G., Xu, B., Irving, S.L.
J. Am. Chem. Soc. (2011), 133, 9696-9699, PubMed 21612236 , DOI 10.1021/ja202946k ,
Experiments performed 6 experiments Detail
NMR combined restraints 3 contents Detail
Keywords Estrogen receptor ligand, Stapled peptide