BMRB: 5184

1H Chemical Shift Assignments for toxin BeKm from the Scorpion Buthus eupeus

Authors

Bocharov, E.V., Maslennikov, I.V., Korolkova, Y.V., Grishin, E.V., Arseniev, A.S.

Assembly

toxin BeKm from the scorpion Buthus eupeus

Entity

1. toxin BeKm from the scorpion Buthus eupeus (polymer, Thiol state: all disulfide bound), 36 monomers, 4097.681 Da Detail

RPTDIKCSES YQCFPVCKSR FGKTNGRCVN GFCDCF

Formula weight

4097.681 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS7:SG	1:CYS28:SG
2	disulfide	sing	0:CYS13:SG	1:CYS33:SG
3	disulfide	sing	0:CYS17:SG	1:CYS35:SG

Source organism

Mesobuthus eupeus

Exptl. method

NMR

Refine. method

simulated annealing combined with torsion angle dynamics

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.7 %, Completeness (bb): 98.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	97.7 % (214 of 219)	97.7 % (214 of 219)
Backbone	98.6 % (72 of 73)	98.6 % (72 of 73)
Sidechain	97.3 % (142 of 146)	97.3 % (142 of 146)
Aromatic	100.0 % (24 of 24)	100.0 % (24 of 24)
Methyl	100.0 % (8 of 8)	100.0 % (8 of 8)

1. scorpion toxin BeKm

RPTDIKCSES YQCFPVCKSR FGKTNGRCVN GFCDCF

Show sample condition

Sample

Temperature 303 (±0.5) K, pH 3.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	scorpion toxin BeKm			1.0 mM

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Protein Blocks Logo

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

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Coupling constant

30 J values in 1 lists
Field strength (¹H) 600 MHz, Temperature 303 (±0.5) K, pH 3.5 (±0.2) Detail

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Temperature 303 (±0.5) K, pH 3.5 (±0.2)

List #1 coupling_constants_set_1, Field strength (¹H) 600 MHz

Release date

2002-05-07

Citation 1

Inverse active site of scorpion toxin BeKm
Bocharov, E.V., Maslennikov, I.V., Korolkova, Y.V., Grishin, E.V., Arseniev, A.S.
Nat. Struct. Biol.

Show more 4 citaions

Citation 2

The program XEASY for computer-supported NMR spectral analysis of biological macromolecules
J. Biomol. NMR (1995), 6, 1-10, PubMed 22911575 , DOI 10.1007/BF00417486 , Abstract

Citation 3

Torsion angle dynamics for NMR structure calculation with the new program DYANA
Guntert, P., Mumenthaler, C., Wuthrich, K.
J. Mol. Biol. (1997), 273, 283-298, PubMed 9367762 , DOI 10.1006/jmbi.1997.1284 , Abstract

Citation 4

MOLMOL: a program for display and analysis of macromolecular structures
Koradi, R., Billeter, M., Wuthrich, K.
J. Mol. Graph. (1996), 14, 51-5, 29, PubMed 8744573 , DOI: , Abstract

Citation 5

An ERG channel inhibitor from the scorpion Buthus eupeus
Korolkova, Y.V., Kozlov, S.A., Lipkin, A.V., Pluzhnikov, K.A., Hadley, J.K., Filippov, A.K., Brown, D.A., Angelo, K., Strobaek, D., Jespersen, T., Olesen, S.P., Jensen, B.S., Grishin, E.V.
J. Biol. Chem. (2001), 276, 9868-9876, PubMed 11136720 , DOI 10.1074/jbc.M005973200 , Abstract

Hide non-primary 4 citaions

Related entities 1. toxin BeKm from the scorpion Buthus eupeus, : 1 : 2 : 3 : 145 entities Detail

Experiments performed 3 experiments Detail