BMRB: 7341

CYCLIC MRIA: AN EXCEPTIONALLY STABLE AND POTENT CYCLIC CONOTOXIN WITH A NOVEL TOPOLOGICAL FOLD THAT TARGETS THE NOREPINEPHRINE TRANSPORTER.

Authors

Lovelace, E.S., Armishaw, C.J., Colgrave, M.L., Wahlstrom, M.E., Alewood, P.F., Daly, N.L., Craik, D.J.

Assembly

CYCLIC MRIA

Entity

1. CYCLIC MRIA (polymer, Thiol state: all disulfide bound), 15 monomers, 1540.809 Da Detail

NGVCCGYKLC HXCAG

Formula weight

1540.809 Da

Entity Connection

peptide 1, disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS13:SG
2	disulfide	sing	1:CYS5:SG	1:CYS10:SG
3	peptide	sing	1:ASN1:C	1:GLY15:N

Exptl. method

solution NMR

Refine. method

DISTANCE GEOMETRY, SIMULATED ANNEALING, RESTRAINED MOLECULAR DYNAMICS, WATERGATE

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.3 %, Completeness: 94.3 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	94.3 % (66 of 70)	94.3 % (66 of 70)
Backbone	100.0 % (31 of 31)	100.0 % (31 of 31)
Sidechain	89.7 % (35 of 39)	89.7 % (35 of 39)
Aromatic	66.7 % (4 of 6)	66.7 % (4 of 6)
Methyl	100.0 % (5 of 5)	100.0 % (5 of 5)

1. CYCLIC MRIA

NGVCCGYKLC HXCAG

Show sample condition

Sample

Temperature 280.0 K, pH 3.5, Details 10% WATER/90% D2O

#	Name	Isotope labeling	Type	Concentration
1	CYCLIC_MRIA	natural abundance		1 mM

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Protein Blocks Logo

Calculated from 21 models in PDB: 2J15, Strand ID: A Detail

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Release date

2007-10-15

Citation

Cyclic MrIA: a stable and potent cyclic conotoxin with a novel topological fold that targets the norepinephrine transporter
Lovelace, E.S., Armishaw, C.J., Colgrave, M.L., Wahlstrom, M.E., Alewood, P.F., Daly, N.L., Craik, D.J.
J. Med. Chem. (2006), 49, 6561-6568, PubMed 17064074 , DOI 10.1021/jm060299h , Abstract

Related entities 1. CYCLIC MRIA, : 1 : 1 : 3 entities Detail

Experiments performed 4 experiments Detail