BMRBj - BMREntryMaster

	Total	¹H
All	94.6 % (141 of 149)	94.6 % (141 of 149)
Backbone	97.1 % (66 of 68)	97.1 % (66 of 68)
Sidechain	92.6 % (75 of 81)	92.6 % (75 of 81)
Aromatic	84.6 % (11 of 13)	84.6 % (11 of 13)
Methyl	96.4 % (27 of 28)	96.4 % (27 of 28)

1. entity 1

XXPVCAVAAX AAAAXAACGW VGGGIFTGVX VVVXLKHC

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Sample

Solvent system methanol, Pressure 1 (±0) atm, Temperature 296 (±0.1) K, pH 6 (±0.1), Details 2.0 mM cytolysin L, methanol

#	Name	Isotope labeling	Type	Concentration
1	cytolysin L	natural abundance		2.0 (±0.2) mM

Protein Blocks Logo

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

Release date

2020-01-09

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

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30710_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	10	DBU	(2Z)-2-AMINOBUT-2-ENOIC ACID	Assigned chemical shifts
1	15	DHA	2-AMINO-ACRYLIC ACID	Assigned chemical shifts
1	30	DBU	(2Z)-2-AMINOBUT-2-ENOIC ACID	Assigned chemical shifts
1	34	DAL	D-ALANINE	Assigned chemical shifts

Content subtype: bmr30710_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	218		100.0 (chain: 1, length: 38)
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: 38, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 218
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	172	155	90.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	76	72	94.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	96	83	86.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	32	97.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	13	11	84.6

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

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Found 1 Document (0.321 seconds)

BMRB: 30710

Sample

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail