BMRB: 34418

M-BUTX-Ptr1a (Parabuthus transvaalicus)

Authors

Meudal, H., Landon, C., Delmas, A.F.

Assembly

M-BUTX-Ptr1a

Entity

1. M-BUTX-Ptr1a (polymer, Thiol state: all disulfide bound), 34 monomers, 3801.678 Da Detail

QMDMRCSASV ECKQKCLKAI GSIFGKCMNK KCKC

Formula weight

3801.678 Da

Entity Connection

disulfide 3 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS6:SG	1:CYS27:SG
2	disulfide	sing	1:CYS12:SG	1:CYS32:SG
3	disulfide	sing	1:CYS16:SG	1:CYS34:SG

Source organism

Parabuthus transvaalicus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 58.1 %, Completeness (bb): 41.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	58.1 % (211 of 363)	92.1 % (198 of 215)	8.8 % (13 of 148)
Backbone	41.2 % (70 of 170)	87.1 % (61 of 70)	9.0 % (9 of 100)
Sidechain	64.0 % (144 of 225)	94.5 % (137 of 145)	8.7 % (7 of 80)
Aromatic	50.0 % (5 of 10)	100.0 % (5 of 5)	0.0 % (0 of 5)
Methyl	60.0 % (12 of 20)	90.0 % (9 of 10)	30.0 % (3 of 10)

1. entity 1

QMDMRCSASV ECKQKCLKAI GSIFGKCMNK KCKC

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4.5, Details 2.4 mM [1-34]M-BUTX-Ptr1a, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	[1-34]M-BUTX-Ptr1a	natural abundance		2.4 mM

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Release date

2020-07-12

Citation

A Venomics Approach Coupled to High-Throughput Toxin Production Strategies Identifies the First Venom-Derived Melanocortin Receptor Agonists
Reynaud, S., Ciolek, J., Degueldre, M., Saez, N.J., Sequeira, A.F., Duhoo, Y., Bras, J.L.A., Meudal, H., Cabo Diez, M., Fernandez Pedrosa, V., Verdenaud, M., Boeri, J., Pereira Ramos, O., Ducancel, F., Vanden Driessche, M., Fourmy, R., Violette, A., Upert, G., Mourier, G., Beck-Sickinger, A.G., Morl, K., Landon, C., Fontes, C.M.G.A., Minambres Herraiz, R., Rodriguez de la Vega, R.C., Peigneur, S., Tytgat, J., Quinton, L., De Pauw, E., Vincentelli, R., Servent, D., Gilles, N.
J. Med. Chem. (2020), 63, 8250-8264, PubMed 32602722 , DOI 10.1021/acs.jmedchem.0c00485 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. M-BUTX-Ptr1a, : 1 : 154 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail