BMRB: 5609

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

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS17:SG
2	disulfide	sing	1:CYS10:SG	1: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

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Polymer type: polypeptide(L)

	Total	1H
All	90.8 % (128 of 141)	90.8 % (128 of 141)
Backbone	98.3 % (59 of 60)	98.3 % (59 of 60)
Sidechain	85.2 % (69 of 81)	85.2 % (69 of 81)
Aromatic	66.7 % (4 of 6)	66.7 % (4 of 6)
Methyl	80.0 % (12 of 15)	80.0 % (12 of 15)

1. KALATA

AGETCVGGTC NTPGATCSWP VCTRNGLPV

Show sample condition

Sample

Pressure 1 atm, Temperature 290 K, pH 3.8

#	Name	Isotope labeling	Type	Concentration
1	KALATA			1 mM
2	H2O			90 %
3	D2O			10 %

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

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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 , Abstract

Related entities 1. kalata B1, : 1 : 7 : 62 entities Detail

Experiments performed 3 experiments Detail