BMRB: 34119

exendin-4 variant with dual GLP-1 / glucagon receptor activity

Authors

Evers, A., Kurz, M.

Assembly

Exendin-4

Entity

1. Exendin-4, entity 1 (polymer, Thiol state: not present), 40 monomers, 4213.517 Da Detail

HXQGTFTSDL SKQKDSRRAQ DFIEWLKNGG PSSGAPPPSX

2. Exendin-4, entity D6M (non-polymer), 385.538 Da

Total weight

4599.055 Da

Max. entity weight

4213.517 Da

Source organism

Heloderma suspectum

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 98.7 %, Completeness (bb): 98.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.7 % (226 of 229)	98.7 % (226 of 229)
Backbone	98.7 % (75 of 76)	98.7 % (75 of 76)
Sidechain	98.7 % (151 of 153)	98.7 % (151 of 153)
Aromatic	100.0 % (18 of 18)	100.0 % (18 of 18)
Methyl	100.0 % (10 of 10)	100.0 % (10 of 10)

1. entity 1

HXQGTFTSDL SKQKDSRRAQ DFIEWLKNGG PSSGAPPPSX

Show sample condition

Sample

Solvent system trifluoroethanol/water, Pressure 1 (±0.01) Pa, Temperature 310 (±0.2) K, pH 5.0 (±0.05), Details 5 mg/mL Peptid 14, trifluoroethanol/water

#	Name	Isotope labeling	Type	Concentration
1	Peptid 14	natural abundance		5 mg/mL
2	sodium phosphate	natural abundance		35 mM

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Calculated from 10 models in PDB: 5NIQ, Strand ID: A Detail

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Release date

2018-02-19

Citation

Design of Novel Exendin-Based Dual Glucagon-like Peptide 1 (GLP-1)/Glucagon Receptor Agonists
Evers, A., Haack, T., Lorenz, M., Bossart, M., Elvert, R., Henkel, B., Stengelin, S., Kurz, M., Glien, M., Dudda, A., Lorenz, K., Kadereit, D., Wagner, M.
J. Med. Chem. (2017), 60, 4293-4303, PubMed 28448133 , DOI 10.1021/acs.jmedchem.7b00174 , Abstract

Related entities 1. Exendin-4, entity 1, : 1 : 36 entities Detail

Experiments performed 4 experiments Detail