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NMR structure of [Ala1,15]kalata B1
Authors
Daly, N.L., Clark, R.J., Craik, D.J.
Assembly
kalata B1
Entity
1. kalata B1 (polymer, Thiol state: all disulfide bound), 29 monomers, 2852.205 Da Detail

AGETCVGGTC NTPGATCSWP VCTRNGLPV


Formula weight
2852.205 Da
Entity Connection
disulfide 2 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS5:SG1:CYS17:SG
2disulfidesing1:CYS10:SG1:CYS22:SG

Exptl. method
NMR
Refine. method
torsion angle dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 90.8 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

Total1H
All90.8 % (128 of 141)90.8 % (128 of 141)
Backbone98.3 % (59 of 60)98.3 % (59 of 60)
Sidechain85.2 % (69 of 81)85.2 % (69 of 81)
Aromatic66.7 % (4 of 6)66.7 % (4 of 6)
Methyl80.0 % (12 of 15)80.0 % (12 of 15)

1. KALATA

AGETCVGGTC NTPGATCSWP VCTRNGLPV

Sample

Pressure 1 atm, Temperature 290 K, pH 3.8


#NameIsotope labelingTypeConcentration
1KALATA1 mM
2H2O90 %
3D2O10 %

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Calculated from 20 models in PDB: 1N1U, Strand ID: A Detail


Release date
2002-12-01
Citation
Disulfide folding pathways of cystine knot proteins. Tying the knot within the circular backbone of the cyclotides
Daly, N.L., Clark, R.J., Craik, D.J.
J. Biol. Chem. (2003), 278, 6314-6322, PubMed 12482862 , DOI 10.1074/jbc.M210492200 ,
Related entities 1. kalata B1, : 1 : 7 : 62 entities Detail
Experiments performed 3 experiments Detail
nullKeywords cyclic peptide, cystine knot, triple stranded beta sheet