BMRB: 18023

Cyclo-TC1 Trp-cage

Authors

Lin, J.C., Scian, M., Andersen, N.H.

Assembly

Cyclo-TC1 Trp-cage

Entity

1. Cyclo-TC1 Trp-cage (polymer, Thiol state: not present), 22 monomers, 2143.230 Da Detail

GDAYAQWLAD GGPSSGRPPP SG

Formula weight

2143.23 Da

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 100.0 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	100.0 % (114 of 114)	100.0 % (114 of 114)
Backbone	100.0 % (45 of 45)	100.0 % (45 of 45)
Sidechain	100.0 % (69 of 69)	100.0 % (69 of 69)
Aromatic	100.0 % (10 of 10)	100.0 % (10 of 10)
Methyl	100.0 % (5 of 5)	100.0 % (5 of 5)

1. Cyclo-TC1

GDAYAQWLAD GGPSSGRPPP SG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 280 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	cyclo-TC1	natural abundance		1.0 ~ 1.5 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

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Protein Blocks Logo

Calculated from 33 models in PDB: 2LL5, Strand ID: A Detail

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Release date

2012-07-15

Citation

Crystal and NMR structures of a Trp-cage mini-protein benchmark for computational fold prediction
Scian, M., Lin, J.C., Le Trong, I., Makhatadze, G.I., Stenkamp, R.E., Andersen, N.H.
Proc. Natl. Acad. Sci. U. S. A. (2012), 109, 12521-12525, PubMed 22802678 , DOI 10.1073/pnas.1121421109 , Abstract

Related entities 1. Cyclo-TC1 Trp-cage, : 1 : 2 : 1 : 25 entities Detail

Experiments performed 2 experiments Detail

NMR combined restraints 3 contents Detail