BMRB: 36107

Solution structure of arenicin-3 derivative N2

Authors

Liu, X.H., Wang, J.H.

Assembly

arenicin-3 derivative N2

Entity

1. arenicin-3 derivative N2 (polymer, Thiol state: all disulfide bound), 21 monomers, 2570.012 Da Detail

AFCWNVCVYR NAVRVCHRRC N

Formula weight

2570.012 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS20:SG
2	disulfide	sing	1:CYS7:SG	1:CYS16:SG

Source organism

Arenicola marina

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.1 %, Completeness (bb): 77.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	85.1 % (212 of 249)	97.7 % (126 of 129)	65.3 % (62 of 95)	96.0 % (24 of 25)
Backbone	77.0 % (97 of 126)	92.9 % (39 of 42)	60.3 % (38 of 63)	95.2 % (20 of 21)
Sidechain	93.8 % (135 of 144)	100.0 % (87 of 87)	83.0 % (44 of 53)	100.0 % (4 of 4)
Aromatic	100.0 % (34 of 34)	100.0 % (17 of 17)	100.0 % (16 of 16)	100.0 % (1 of 1)
Methyl	60.0 % (12 of 20)	100.0 % (10 of 10)	20.0 % (2 of 10)

1. N2

AFCWNVCVYR NAVRVCHRRC N

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4, Details 2.0 mM NA- N2, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	N2	natural abundance	protein	2.0 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 5Y0J, Strand ID: A Detail

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Release date

2017-08-20

Citation

Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Yang, N., Liu, X., Teng, D., Li, Z., Wang, X., Mao, R., Wang, X.M., Hao, Y., Wang, J.
Sci. Rep. (2017), 7, 3392-3392, PubMed 28611436 , DOI 10.1038/s41598-017-03664-2 , Abstract

Experiments performed 4 experiments Detail