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BMRB: 25193

5XHB

NMR resonance assignment 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), 227 monomers, 25836.33 Da Detail

GSYQTSHKKV RFDEGSYTNF IYDNKSYFVT DKEIPQENVN NSKVKFYKLL IVDMKSEKLL SSSNKNSVTL VLNNIYEASD KSLCMGINDR YYKILPESDK GAVKALRLQN FDVTSDISDD NFVIDKNDSR KIDYMGNIYS ISDTTVSDEE LGEYQDVLAE VRVFDSVSGK SIPRSEWGRI DKDGSNSKQS RTEWDYGEIH SIRGKSLTEA FAVEINDDFK LATKVGN

Formula weight

25836.33 Da

Source organism

Lactococcus lactis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 47.3 %, Completeness (bb): 82.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	47.3 % (1256 of 2658)	26.3 % (364 of 1384)	65.5 % (672 of 1026)	88.7 % (220 of 248)
Backbone	82.5 % (1119 of 1356)	55.3 % (256 of 463)	96.3 % (644 of 669)	97.8 % (219 of 224)
Sidechain	22.9 % (347 of 1517)	11.7 % (108 of 921)	41.6 % (238 of 572)	4.2 % (1 of 24)
Aromatic	2.8 % (6 of 218)	3.7 % (4 of 109)	1.9 % (2 of 107)	0.0 % (0 of 2)
Methyl	17.6 % (39 of 222)	17.1 % (19 of 111)	18.0 % (20 of 111)

1. NisI

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	EDTA	natural abundance	200 uM
4	DTT	natural abundance	1 mM
5	DSS	natural abundance	30 uM
6	NisI2-226	[U-15N]	400 mM
7	H2O	natural abundance	90 %
8	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
9	sodium phosphate	natural abundance	50 mM
10	sodium chloride	natural abundance	100 mM
11	EDTA	natural abundance	200 uM
12	DTT	natural abundance	1 mM
13	DSS	natural abundance	30 uM
14	NisI2-226	[U-13C; U-15N; U-2H]	400 uM
15	H2O	natural abundance	90 %
16	D2O	natural abundance	10 %

Sample #3

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

#	Name	Isotope labeling	Concentration
17	sodium phosphate	natural abundance	50 mM
18	sodium chloride	natural abundance	100 mM
19	EDTA	natural abundance	200 uM
20	DTT	natural abundance	1 mM
21	DSS	natural abundance	30 uM
22	NisI2-226	[13C]-Tyr, [15N]-Lys	400 uM
23	H2O	natural abundance	90 %
24	D2O	natural abundance	10 %

Sample #4

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

#	Name	Isotope labeling	Concentration
25	sodium phosphate	natural abundance	50 mM
26	sodium chloride	natural abundance	100 mM
27	EDTA	natural abundance	200 uM
28	DTT	natural abundance	1 mM
29	DSS	natural abundance	30 uM
30	NisI2-226	[13C]-Thr, [15N]-Lys	400 uM
31	H2O	natural abundance	90 %
32	D2O	natural abundance	10 %

Sample #5

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

#	Name	Isotope labeling	Concentration
33	sodium phosphate	natural abundance	50 mM
34	sodium chloride	natural abundance	100 mM
35	EDTA	natural abundance	200 uM
36	DTT	natural abundance	1 mM
37	DSS	natural abundance	30 uM
38	NisI2-226	[15N]-Tyr	200 uM
39	H2O	natural abundance	90 %
40	D2O	natural abundance	10 %

Sample #6

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

#	Name	Isotope labeling	Concentration
41	sodium phosphate	natural abundance	50 mM
42	sodium chloride	natural abundance	100 mM
43	EDTA	natural abundance	200 uM
44	DTT	natural abundance	1 mM
45	DSS	natural abundance	30 uM
46	NisI2-226	[13C]-His, [15N]-Lys	300 uM
47	H2O	natural abundance	90 %
48	D2O	natural abundance	10 %

Sample #7

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

#	Name	Isotope labeling	Concentration
49	sodium phosphate	natural abundance	50 mM
50	sodium chloride	natural abundance	100 mM
51	EDTA	natural abundance	200 uM
52	DTT	natural abundance	1 mM
53	DSS	natural abundance	30 uM
54	NisI2-226	[13C]-Pro, [15N]-Arg	100 uM
55	H2O	natural abundance	90 %
56	D2O	natural abundance	10 %

Sample #8

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

#	Name	Isotope labeling	Concentration
57	sodium phosphate	natural abundance	50 mM
58	sodium chloride	natural abundance	100 mM
59	EDTA	natural abundance	200 uM
60	DTT	natural abundance	1 mM
61	DSS	natural abundance	30 uM
62	NisI2-226	[15N]-Phe	500 uM
63	H2O	natural abundance	90 %
64	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: 0.37 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: 0.37 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: 0.61 ppm, Outliers: 1 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

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 25175 released on 2015-04-26
    Title NMR resonance assignment of the N-terminal domain of the lantibiotic immunity protein NisI
  BMRB: 25194 released on 2015-04-26
    Title NMR resonance assignment of the C-terminal domain of the lantibiotic immunity protein NisI

Related entities 1. NisI, : 1 : 1 : 8 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC