BMRB: 4503

Solution Structure of Alpha-conotoxin SI

Authors

Benie, A.J., Whitford, D., Hargittai, B., Barany, G., Janes, R.W.

Assembly

alpha-conotoxin SI

Entity

1. alpha-conotoxin SI (polymer, Thiol state: all disulfide bound), 14 monomers, 1356.636 Da Detail

ICCNPACGPK YSCX

Formula weight

1356.636 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS13:SG
2	disulfide	sing	1:CYS2:SG	1:CYS7:SG

Source organism

Conus striatus

Exptl. method

NMR

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 92.9 %, Completeness: 87.8 %, Completeness (bb): 79.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	87.8 % (108 of 123)	98.6 % (70 of 71)	73.1 % (38 of 52)
Backbone	79.4 % (50 of 63)	96.0 % (24 of 25)	68.4 % (26 of 38)
Sidechain	97.2 % (70 of 72)	100.0 % (46 of 46)	92.3 % (24 of 26)
Aromatic	75.0 % (6 of 8)	100.0 % (4 of 4)	50.0 % (2 of 4)
Methyl	100.0 % (6 of 6)	100.0 % (3 of 3)	100.0 % (3 of 3)

1. conotoxin

ICCNPACGPK YSCX

Show sample condition

Sample

Temperature 283 (±0.1) K, pH 4.2 (±0.01), Details Adjusted to pH4.2 with HCl

#	Name	Isotope labeling	Type	Concentration
1	conotoxin			4.9 ~ 5.1 mM

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Calculated from 36 models in PDB: 1QMW, Strand ID: A Detail

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Coupling constant

18 J values in 2 lists
Temperature 283 (±0.1) K, pH 4.2 (±0.01) Detail

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Temperature 283 (±0.1) K, pH 4.2 (±0.01)

List #1 coupling_constants_set_1

List #2 coupling_constants_set_2

Release date

2008-07-16

Citation 1

Solution structure of alpha-conotoxin SI
Benie, A.J., Whitford, D., Hargittai, B., Barany, G., Janes, R.W.
FEBS Lett. (2000), 476, 287-295, PubMed 10913630 , DOI 10.2210/pdb1qmw/pdb , Abstract

Show more 3 citaions

Citation 2

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , DOI 10.1007/bf00197809 , Abstract

Citation 3

The program XEASY for computer-supported NMR spectral analysis of biological macromolecules
Bartels, C., Xia, T., Billeter, M., Guntert, P., Wuthrich, K.
J. Biomol. NMR (1995), 6, 1-10, PubMed 22911575 , DOI 10.1007/BF00417486 , Abstract

Citation 4

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI 10.1007/bf00211777 , Abstract

Hide non-primary 3 citaions

Related entities 1. alpha-conotoxin SI, : 1 : 2 : 18 entities Detail

Experiments performed 6 experiments Detail