BMRB: 30787

Solution NMR structure of citrulassin F

Authors

Harris, L.A., Mitchell, D.A.

Assembly

Citrulassin F

Entity

1. Citrulassin F (polymer, Thiol state: not present), 15 monomers, 1655.899 Da Detail

LLGRSGNDRL ILSKN

Formula weight

1655.899 Da

Source organism

Streptomyces avermitilis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 63.4 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	63.4 % (59 of 93)	63.4 % (59 of 93)
Backbone	100.0 % (32 of 32)	100.0 % (32 of 32)
Sidechain	44.3 % (27 of 61)	44.3 % (27 of 61)
Methyl	0.0 % (0 of 10)	0.0 % (0 of 10)

1. entity 1

LLGRSGNDRL ILSKN

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 2, Details 10 mg/mL citrulassin F, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	citrulassin F	natural abundance		10 mg/mL

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Protein Blocks Logo

Calculated from 20 models in PDB: 7JS6, Strand ID: A Detail

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Release date

2020-10-05

Citation

Reactivity-Based Screening for Citrulline-Containing Natural Products Reveals a Family of Bacterial Peptidyl Arginine Deiminases
Harris, L.A., Saint-Vincent, P., Guo, X., Hudson, G.A., DiCaprio, A.J., Zhu, L., Mitchell, D.A.
ACS Chem. Biol. (2020), 15, 3167-3175, PubMed 33249828 , DOI 10.1021/acschembio.0c00685 , Abstract

Related entities 1. Citrulassin F, : 1 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail