BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	69.1 % (132 of 191)	97.9 % (94 of 96)	30.4 % (24 of 79)	87.5 % (14 of 16)
Backbone	74.0 % (74 of 100)	100.0 % (36 of 36)	50.0 % (24 of 48)	87.5 % (14 of 16)
Sidechain	64.8 % (68 of 105)	96.7 % (58 of 60)	22.2 % (10 of 45)
Aromatic	46.7 % (14 of 30)	93.3 % (14 of 15)	0.0 % (0 of 15)
Methyl	54.5 % (12 of 22)	90.9 % (10 of 11)	18.2 % (2 of 11)

1. entity 1

XXPACFXIGL GVGALFXAKF C

Show sample condition

Sample #1

Solvent system methanol, Pressure 1 (±0.001) atm, Temperature 277 (±0.1) K, pH 6 (±0.1), Details 1.0 mM [U-99% 13C; U-99% 15N] Cytolysin S, methanol

#	Name	Isotope labeling	Type	Concentration
1	Cytolysin S	[U-99% 13C; U-99% 15N]		1.0 (±0.2) mM

Sample #2

Solvent system CD3OH, Pressure 1 (±0.001) atm, Temperature 277 (±0.1) K, pH 6 (±0.1), Details 1.0 mM Cytolysin S, CD3OH

#	Name	Isotope labeling	Type	Concentration
2	Cytolysin S	natural abundance		1.0 (±0.2) mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6VE9, Strand ID: A Detail

Release date

2020-01-08

Citation

The sequence of the enterococcal cytolysin imparts unusual lanthionine stereochemistry
Tang, W., van der Donk, W.A.
Nat. Chem. Biol. (2013), 9, 157-159, PubMed 23314913 , DOI 10.1038/nchembio.1162 , Abstract

Related entities 1. enterococcal cytolysin S, : 1 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30702_3.str
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

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
1	1	ABA	ALPHA-AMINOBUTYRIC ACID	Assigned chemical shifts
1	2	DBU	(2Z)-2-AMINOBUT-2-ENOIC ACID	Assigned chemical shifts
1	7	DBU	(2Z)-2-AMINOBUT-2-ENOIC ACID	Assigned chemical shifts
1	17	DAL	D-ALANINE	Assigned chemical shifts

Content subtype: bmr30702_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	174		100.0 (chain: 1, length: 21)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 21, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 135
  - ¹⁵N chemical shifts: 16
  - ¹³C chemical shifts: 23
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
19	LYS	HZ1	7.753
19	LYS	HZ2	7.753
19	LYS	HZ3	7.753

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	112	105	93.8
¹⁵N chemical shifts	20	16	80.0
¹³C chemical shifts	92	23	25.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	40	95.2
¹⁵N chemical shifts	20	16	80.0
¹³C chemical shifts	40	13	32.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	70	65	92.9
¹³C chemical shifts	52	10	19.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	14	93.3
¹³C chemical shifts	15	2	13.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	14	93.3
¹³C chemical shifts	15	0	0.0

Keywords TOXIN, cyclic peptide, cytolysin, lanthipeptide, posttranslational modification

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Found 1 Document (0.449 seconds)

BMRB: 30702

Sample #1

Sample #2

Related entities 1. enterococcal cytolysin S, : 1 entities Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail