BMRB: 30383

SFTI-HFRW-4

Authors

Schroeder, C.I., White, A.

Assembly

SFTI-HFRW-4

Entity

1. SFTI-HFRW-4 (polymer), 14 monomers, 1715.052 Da Detail

CTASIPPICX XXWR

Formula weight

1715.052 Da

Source organism

Helianthus annuus

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 78.6 %, Completeness: 87.4 %, Completeness (bb): 82.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.4 % (111 of 127)	100.0 % (66 of 66)	68.6 % (35 of 51)	100.0 % (10 of 10)
Backbone	82.3 % (51 of 62)	100.0 % (20 of 20)	66.7 % (22 of 33)	100.0 % (9 of 9)
Sidechain	93.4 % (71 of 76)	100.0 % (46 of 46)	82.8 % (24 of 29)	100.0 % (1 of 1)
Aromatic	58.3 % (7 of 12)	100.0 % (6 of 6)	0.0 % (0 of 5)	100.0 % (1 of 1)
Methyl	100.0 % (12 of 12)	100.0 % (6 of 6)	100.0 % (6 of 6)

1. entity 1

CTASIPPICX XXWR

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 298 K, pH 3.5, Details 1 mM SFTI-HFRW-4, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SFTI-HFRW-4	natural abundance		1 mM

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Calculated from 20 models in PDB: 6BVY, Strand ID: A Detail

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Release date

2018-01-17

Citation

Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1
Durek, T., Cromm, P.M., White, A.M., Schroeder, C.I., Kaas, Q., Weidmann, J., Ahmad Fuaad, A., Cheneval, O., Harvey, P.J., Daly, N.L., Zhou, Y., Dellsen, A., Osterlund, T., Larsson, N., Knerr, L., Bauer, U., Kessler, H., Cai, M., Hruby, V.J., Plowright, A.T., Craik, D.J.
J. Med. Chem. (2018), 61, 3674-3684, PubMed 29605997 , DOI 10.1021/acs.jmedchem.8b00170 , Abstract

Entries sharing articles BMRB: 3 entries Detail

Related entities 1. SFTI-HFRW-4, : 1 : 2 : 2 entities Detail

Experiments performed 4 experiments Detail