BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	80.8 % (270 of 334)	88.4 % (153 of 173)	67.7 % (88 of 130)	93.5 % (29 of 31)
Backbone	78.7 % (137 of 174)	95.2 % (59 of 62)	61.4 % (51 of 83)	93.1 % (27 of 29)
Sidechain	84.3 % (156 of 185)	84.7 % (94 of 111)	83.3 % (60 of 72)	100.0 % (2 of 2)
Aromatic	0.0 % (0 of 18)	0.0 % (0 of 9)	0.0 % (0 of 9)
Methyl	100.0 % (40 of 40)	100.0 % (20 of 20)	100.0 % (20 of 20)

1. entity 1

SAILAITLGI FATGYGMGVQ KAINDRRKK

Show sample condition

Sample

Solvent system trifluoroethanol/water, Pressure 760 mmHg, Temperature 300 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] CbnY, 50 % D trifluoroethanol, 50 % water, 0.01 % DSS, trifluoroethanol/water

#	Name	Isotope labeling	Concentration
1	CbnY	[U-99% 13C; U-99% 15N]	1 mM
2	DSS	none	0.01 %
3	trifluoroethanol	D	50 %
4	water	none	50 %

Protein Blocks Logo

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

Release date

2017-02-22

Citation

Identification and three-dimensional structure of carnobacteriocin XY, a class IIb bacteriocin produced by Carnobacteria
Acedo, J.Z., Towle, K.M., Lohans, C.T., McKay, R.T., Miskolzie, M., Doerksen, T., Vederas, J.C., Martin-Visscher, L.A.
FEBS Lett. (2017), 591, 1349-1359, PubMed 28391617 , DOI 10.1002/1873-3468.12648 , Abstract

Related entities 1. Bacteriocin, : 2 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-1H TOCSY

Instrument

Varian VNMRS - 700 MHz

Sample

State isotropic, Solvent system trifluoroethanol/water, Pressure 760 mmHg, Temperature 300 K, pH 6, Details 1 mM [U-99% 13C; U-99% 15N] CbnY, 50 % D trifluoroethanol, 50 % water, 0.01 % DSS, trifluoroethanol/water

#	Name	Isotope labeling	Concentration
1	CbnY	[U-99% 13C; U-99% 15N]	1 mM
2	DSS	none	0.01 %
3	trifluoroethanol	D	50 %
4	water	none	50 %

2 2D 1H-1H NOESY

Instrument

Varian VNMRS - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CbnY	[U-99% 13C; U-99% 15N]	1 mM
2	DSS	none	0.01 %
3	trifluoroethanol	D	50 %
4	water	none	50 %

3 2D 1H-15N HSQC

Instrument

Varian VNMRS - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CbnY	[U-99% 13C; U-99% 15N]	1 mM
2	DSS	none	0.01 %
3	trifluoroethanol	D	50 %
4	water	none	50 %

4 2D 1H-13C HSQC

Instrument

Varian VNMRS - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CbnY	[U-99% 13C; U-99% 15N]	1 mM
2	DSS	none	0.01 %
3	trifluoroethanol	D	50 %
4	water	none	50 %

5 3D HCCH-TOCSY

Instrument

Varian VNMRS - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CbnY	[U-99% 13C; U-99% 15N]	1 mM
2	DSS	none	0.01 %
3	trifluoroethanol	D	50 %
4	water	none	50 %

6 3D 1H-15N NOESY

Instrument

Varian VNMRS - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CbnY	[U-99% 13C; U-99% 15N]	1 mM
2	DSS	none	0.01 %
3	trifluoroethanol	D	50 %
4	water	none	50 %

7 3D 1H-15N TOCSY

Instrument

Varian VNMRS - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	CbnY	[U-99% 13C; U-99% 15N]	1 mM
2	DSS	none	0.01 %
3	trifluoroethanol	D	50 %
4	water	none	50 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_30235_5ujq.nef
Input source #2: Coordindates	5ujq.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20---------
SAILAITLGIFATGYGMGVQKAINDRRKK
|||||||||||||||||||||||||||||
SAILAITLGIFATGYGMGVQKAINDRRKK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	29	0	0	100.0

Content subtype: combined_30235_5ujq.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	277		100.0 (chain: A, length: 29)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	390 (1)	noe	100.0 (chain: A, length: 29)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 157
  - ¹³C chemical shifts: 90
  - ¹⁵N chemical shifts: 30
- Completeness of assignments
  - Entity_assemble_ID: A
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	173	157	90.8
¹³C chemical shifts	130	90	69.2
¹⁵N chemical shifts	33	30	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	61	98.4
¹³C chemical shifts	58	29	50.0
¹⁵N chemical shifts	29	28	96.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	111	96	86.5
¹³C chemical shifts	72	61	84.7
¹⁵N chemical shifts	4	2	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	21	100.0
¹³C chemical shifts	21	21	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	9	0	0.0
¹³C chemical shifts	9	0	0.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 100.0%
- Total number of restraints: 388
- Weight of restraints: 1.0 (388)
- Potential type of restraints: upper-bound-parabolic (388)
- Range of distance target values: 2.93, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords Antimicrobial protein

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Found 1 Document (0.581 seconds)

BMRB: 30235

Sample

Related entities 1. Bacteriocin, : 2 entities Detail

Experiments performed 7 experiments Detail

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NMR combined restraints 3 contents Detail