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BMRB: 25194

2N2E

NMR resonance assignment of the C-terminal domain of the lantibiotic immunity protein NisI

Authors

Hacker, C., Christ, N., Duchardt-Ferner, E., Bernigner, L., Koetter, P., Entian, K., Woehnert, J.

Assembly

NisI

Entity

1. NisI (polymer, Thiol state: unknown), 130 monomers, 14562.71 Da Detail

SDKGAVKALR LQNFDVTSDI SDDNFVIDKN DSRKIDYMGN IYSISDTTVS DEELGEYQDV LAEVRVFDSV SGKSIPRSEW GRIDKDGSNS KQSRTEWDYG EIHSIRGKSL TEAFAVEIND DFKLATKVGN

Formula weight

14562.71 Da

Source organism

Lactococcus lactis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, water refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.4 %, Completeness (bb): 98.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.4 % (1405 of 1472)	94.6 % (722 of 763)	96.0 % (545 of 568)	97.9 % (138 of 141)
Backbone	98.5 % (766 of 778)	98.1 % (263 of 268)	98.7 % (376 of 381)	98.4 % (127 of 129)
Sidechain	92.1 % (751 of 815)	91.9 % (455 of 495)	92.9 % (286 of 308)	83.3 % (10 of 12)
Aromatic	83.6 % (92 of 110)	85.5 % (47 of 55)	81.1 % (43 of 53)	100.0 % (2 of 2)
Methyl	96.9 % (124 of 128)	96.9 % (62 of 64)	96.9 % (62 of 64)

1. NisI

SDKGAVKALR LQNFDVTSDI SDDNFVIDKN DSRKIDYMGN IYSISDTTVS DEELGEYQDV LAEVRVFDSV SGKSIPRSEW GRIDKDGSNS KQSRTEWDYG EIHSIRGKSL TEAFAVEIND DFKLATKVGN

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	50 mM
2	sodium chloride	natural abundance	100 mM
3	DSS	natural abundance	30 uM
4	NisI97-226	[U-15N]	400 uM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	sodium phosphate	natural abundance	50 mM
8	sodium chloride	natural abundance	100 mM
9	DSS	natural abundance	30 uM
10	NisI97-226	[U-13C; U-15N]	400 uM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.43 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N2E, Strand ID: A Detail

Release date

2015-04-26

Citation

NMR resonance assignments of the lantibiotic immunity protein NisI from Lactococcus lactis
Hacker, C., Christ, N., Duchardt-Ferner, E., Bernigner, L., Koetter, P., Entian, K., Woehnert, J.
Biomol. NMR Assign. (2015), 9, 293-297, PubMed 25613223 , DOI 10.1007/s12104-015-9595-1 , Abstract

Related entities 1. NisI, : 1 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC