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BMRB: 25175

2N32

NMR resonance assignment of the N-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: all free), 109 monomers, 12676.26 Da Detail

YQTSHKKVRF DEGSYTNFIY DNKSYFVTDK EIPQENVNNS KVKFYKLLIV DMKSEKLLSS SNKNSVTLVL NNIYEASDKS LCMGINDRYY KILPESDKGA VKALRLQNF

Formula weight

12676.26 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: 99.1 %, Completeness: 96.3 %, Completeness (bb): 98.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.3 % (1290 of 1339)	95.9 % (673 of 702)	96.7 % (499 of 516)	97.5 % (118 of 121)
Backbone	98.3 % (639 of 650)	97.7 % (214 of 219)	99.1 % (321 of 324)	97.2 % (104 of 107)
Sidechain	95.1 % (756 of 795)	95.0 % (459 of 483)	95.0 % (283 of 298)	100.0 % (14 of 14)
Aromatic	79.7 % (94 of 118)	79.7 % (47 of 59)	79.7 % (47 of 59)
Methyl	100.0 % (110 of 110)	100.0 % (55 of 55)	100.0 % (55 of 55)

1. NisI

YQTSHKKVRF DEGSYTNFIY DNKSYFVTDK EIPQENVNNS KVKFYKLLIV DMKSEKLLSS SNKNSVTLVL NNIYEASDKS LCMGINDRYY KILPESDKGA VKALRLQNF

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	NisI2-110	[U-15N]	400 uM
5	D2O	natural abundance	10 %
6	H2O	natural abundance	90 %

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	NisI2-110	[U-13C; U-15N]	400 uM
11	D2O	natural abundance	10 %
12	H2O	natural abundance	90 %

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: -0.11 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: -0.11 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: -0.05 ppm, Outliers: 5 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: 0.75 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N32, 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.A., Duchardt-Ferner, E., Bernigner, L., Koetter, P.A., 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 : 3 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC