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Found 1 Document (0.269 seconds)

BMRB: 16707

8C5J

Spatial structure of Lch-alpha peptide from two-component lantibiotic Lichenicidin VK21

Authors

Mineev, K.S., Shenkarev, Z.O., Ovchinnikova, T.V., Arseniev, A.S.

Assembly

LchA

Entity

1. LchA (polymer, Thiol state: all other bound), 32 monomers, 3259.902 Da Detail

XIXLXXCAIL XKPLGNNGYL CXVXKECMPS CN

Formula weight

3259.902 Da

Entity Connection

peptide 12 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	peptide	sing	1:2KT1:O	1:ILE2:N
2	peptide	sing	1:ILE2:O	1:ABA3:N
3	peptide	sing	1:ABA3:O	1:LEU4:N
4	peptide	sing	1:LEU4:O	1:DHA5:N
5	peptide	sing	1:DHA5:O	1:DBU6:N
6	peptide	sing	1:DBU6:O	1:CYS7:N
7	peptide	sing	1:LEU10:O	1:DAL11:N
8	peptide	sing	1:DAL11:O	1:LYS12:N
9	peptide	sing	1:CYS21:O	1:ABA22:N
10	peptide	sing	1:ABA22:O	1:VAL23:N
11	peptide	sing	1:VAL23:O	1:ABA24:N
12	peptide	sing	1:ABA24:O	1:LYS25:N

Source organism

Bacillus licheniformis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 78.1 %, Completeness: 89.6 %, Completeness (bb): 79.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	89.6 % (232 of 259)	99.3 % (148 of 149)	76.4 % (84 of 110)
Backbone	79.7 % (98 of 123)	98.0 % (49 of 50)	67.1 % (49 of 73)
Sidechain	98.7 % (157 of 159)	100.0 % (99 of 99)	96.7 % (58 of 60)
Aromatic	75.0 % (6 of 8)	100.0 % (4 of 4)	50.0 % (2 of 4)
Methyl	100.0 % (30 of 30)	100.0 % (15 of 15)	100.0 % (15 of 15)

1. LchA

XIXLXXCAIL XKPLGNNGYL CXVXKECMPS CN

Show sample condition

Sample

Solvent system methanol, Pressure 1 atm, Temperature 300 K, pH 3.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	LchA	natural abundance		0.5 mM
2	methanol	[U-100% 2H]		500 mg

Release date

2011-05-18

Citation

Isolation, structure elucidation, and synergistic antibacterial activity of a novel two-component lantibiotic lichenicidin from Bacillus licheniformis VK21
Shenkarev, Z.O., Finkina, E.I., Nurmukhamedova, E.K., Balandin, S.V., Mineev, K.S., Nadezhdin, K.D., Yakimenko, Z.A., Tagaev, A.A., Temirov, Y.V., Arseniev, A.S., Ovchinnikova, T.V.
Biochemistry (2010), 49, 6462-6472, PubMed 20578714 , DOI 10.1021/bi100871b , Abstract

Related entities 1. LchA, : 1 : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16707_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	2KT	2-KETOBUTYRIC ACID	Assigned chemical shifts
1	3	ABA	ALPHA-AMINOBUTYRIC ACID	Assigned chemical shifts
1	5	DHA	2-AMINO-ACRYLIC ACID	Assigned chemical shifts
1	6	DBU	(2E)-2-AMINOBUT-2-ENOIC ACID	Assigned chemical shifts
1	11	DAL	D-ALANINE	Assigned chemical shifts
1	22	ABA	ALPHA-AMINOBUTYRIC ACID	Assigned chemical shifts
1	24	ABA	ALPHA-AMINOBUTYRIC ACID	Assigned chemical shifts

Content subtype: bmr16707_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	311		100.0 (chain: 1, length: 32)
1	Chemical shift references	chemical_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 32, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 212
  - ¹³C chemical shifts: 99
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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: 1

Comp_index_ID	Comp_ID
1	2KT

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
12	LYS	HZ1	7.705
12	LYS	HZ2	7.705
12	LYS	HZ3	7.705
25	LYS	HZ1	7.653
25	LYS	HZ2	7.653
25	LYS	HZ3	7.653

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	174	165	94.8
¹³C chemical shifts	128	97	75.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	60	100.0
¹³C chemical shifts	58	29	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	114	105	92.1
¹³C chemical shifts	70	68	97.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	20	95.2
¹³C chemical shifts	21	21	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	4	100.0
¹³C chemical shifts	4	2	50.0

Keywords lantibiotics, Lichenicidin, NMR

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Found 1 Document (0.269 seconds)

BMRB: 16707

Sample

Related entities 1. LchA, : 1 : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

Instrument

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Sample

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Chemical shift validation 3 contents Detail