BMRB: 30594

CSP1-cyc(Orn6D10)

Authors

Yang, Y.

Assembly

Competence-stimulating peptide type 1

Entity

1. Competence-stimulating peptide type 1 (polymer, Thiol state: not present), 17 monomers, 2227.675 Da Detail

EMRLSXFFRN FILQRKK

Formula weight

2227.675 Da

Source organism

Streptococcus pneumoniae

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 88.2 %, Completeness: 50.9 %, Completeness (bb): 63.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	50.9 % (118 of 232)	67.5 % (85 of 126)	23.9 % (21 of 88)	66.7 % (12 of 18)
Backbone	63.5 % (61 of 96)	90.6 % (29 of 32)	41.7 % (20 of 48)	75.0 % (12 of 16)
Sidechain	42.1 % (64 of 152)	59.6 % (56 of 94)	14.3 % (8 of 56)	0.0 % (0 of 2)
Aromatic	16.7 % (5 of 30)	33.3 % (5 of 15)	0.0 % (0 of 15)
Methyl	50.0 % (6 of 12)	100.0 % (6 of 6)	0.0 % (0 of 6)

1. entity 1

EMRLSXFFRN FILQRKK

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.9 mM CSP1-cyc(Orn6D10), 250 mM deuterium DPC, 137 mM sodium chloride, 2.7 mM potassium chloride, 10 mM Na2HPO4, 1.8 mM KH2PO4, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CSP1-cyc(Orn6D10)	natural abundance		1.9 mM
2	DPC	deuterium		250 mM
3	sodium chloride	natural abundance		137 mM
4	potassium chloride	natural abundance		2.7 mM
5	Na2HPO4	natural abundance		10 mM
6	KH2PO4	natural abundance		1.8 mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 6OC2, Strand ID: A Detail

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Release date

2020-01-02

Citation

Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity in Streptococcus pneumoniae
Yang, Y., Lin, J., Harrington, A., Cornilescu, G., Lau, G., Tal-Gan, Y.
Proc. Natl. Acad. Sci. U. S. A. (2020), 117, 1689-1699, PubMed 31915298 , DOI 10.1073/pnas.1915812117 , Abstract

Entries sharing articles BMRB: 4 entries Detail

Related entities 1. Competence-stimulating peptide type 1, : 1 : 1 : 3 : 9 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail