BMRB: 6070

Solution Structure of Endothelin-1 with its C-terminal Folding

Authors

Takashima, H., Mimura, N., Ohkubo, T., Yoshida, T., Tamaoki, H., Kobayashi, Y.

Assembly

Endothelin-1

Entity

1. Endothelin-1 (polymer, Thiol state: all disulfide bound), 21 monomers, 2495.934 Da Detail

CSCSSLMDKE CVYFCHLDII W

Formula weight

2495.934 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS1:SG	1:CYS15:SG
2	disulfide	sing	1:CYS3:SG	1:CYS11:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.6 %, Completeness (bb): 97.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	93.6 % (117 of 125)	93.6 % (117 of 125)
Backbone	97.6 % (41 of 42)	97.6 % (41 of 42)
Sidechain	91.6 % (76 of 83)	91.6 % (76 of 83)
Aromatic	76.5 % (13 of 17)	76.5 % (13 of 17)
Methyl	100.0 % (10 of 10)	100.0 % (10 of 10)

1. Endothelin-1

CSCSSLMDKE CVYFCHLDII W

Show sample condition

Sample

Pressure 1 atm, Temperature 297.7 (±0.05) K, pH 3 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Endothelin-1			2.5 mM
2	acetic acid			5 %

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Calculated from 20 models in PDB: 1V6R, Strand ID: A Detail

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Release date

2004-01-08

Citation

Distributed computing and NMR constraint-based high-resolution structure determination: applied for bioactive Peptide endothelin-1 to determine C-terminal folding
Takashima, H., Mimura, N., Ohkubo, T., Yoshida, T., Tamaoki, H., Kobayashi, Y.
J. Am. Chem. Soc. (2004), 126, 4504-4505, PubMed 15070353 , DOI 10.1021/ja031637w , Abstract

Related entities 1. Endothelin-1, : 1 : 21 : 1 : 1 : 57 entities Detail

Interaction partners 1. Endothelin-1, : 6 interactors Detail

Experiments performed 3 experiments Detail