BMRB: 34491

Cortistatin analog with improved immunoregulatory activity

Authors

Rol, A.

Assembly

Analog 5

Entity

1. Analog 5, entity 1 (polymer, Thiol state: all disulfide bound), 14 monomers, 1763.130 Da Detail

PCKNXFXKTF TSCK

2. Analog 5, entity OCA (non-polymer), 144.211 Da

Total weight

1907.3411 Da

Max. entity weight

1763.13 Da

Entity Connection

disulfide 1 Detail

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

Source organism

synthetic construct

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.7 %, Completeness: 90.1 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	90.1 % (73 of 81)	90.1 % (73 of 81)
Backbone	100.0 % (23 of 23)	100.0 % (23 of 23)
Sidechain	86.2 % (50 of 58)	86.2 % (50 of 58)
Aromatic	100.0 % (10 of 10)	100.0 % (10 of 10)
Methyl	100.0 % (2 of 2)	100.0 % (2 of 2)

1. entity 1

PCKNXFXKTF TSCK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 285 K, pH 5, Details 1 mM Analog 5, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Analog 5	natural abundance		1 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 6Y1Q, Strand ID: A Detail

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Release date

2020-07-13

Citation

Structure-based design of a Cortistatin analogue with immunomodulatory activity in models of inflammatory bowel disease
Rol, A., Todorovski, T., Martin-Malpartida, P., Escola, A., Gonzalez-Rey, E., Aragon, E., Verdaguer, X., Valles-Miret, M., Farrera-Sinfreu, J., Puig, E., Fernandez-Carneado, J., Ponsati, B., Delgado, M., Riera, A., Macias, M.J.
Nat. Commun. (2021), 12, 1869-1869, PubMed 33767180 , DOI 10.1038/s41467-021-22076-5 , Abstract

Related entities 1. Analog 5, entity 1, : 1 : 34 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 4 contents Detail