BMRBj - BMREntryMaster

Found 1 Document (0.394 seconds)

BMRB: 50767

7NS1

S. aureus pepG1 NMR solution structure

Authors

Fermon, L.

Assembly

pepG1

Entity

1. pepG1 (polymer, Thiol state: not present), 31 monomers, 3462.340 Da Detail

MITISTMLQF GLFLIALIGL VIKLIELSNK K

Formula weight

3462.34 Da

Source organism

Staphylococcus aureus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.0 %, Completeness (bb): 98.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	98.0 % (199 of 203)	98.0 % (199 of 203)
Backbone	98.4 % (63 of 64)	98.4 % (63 of 64)
Sidechain	97.8 % (136 of 139)	97.8 % (136 of 139)
Aromatic	100.0 % (10 of 10)	100.0 % (10 of 10)
Methyl	100.0 % (31 of 31)	100.0 % (31 of 31)

1. entity 1

MITISTMLQF GLFLIALIGL VIKLIELSNK K

Show sample condition

Sample

Solvent system 50% H2O/50% isoPrOH, Pressure 1 atm, Temperature 303 K, pH 4.5, Details no salt added

#	Name	Isotope labeling	Concentration
1	pepG1	natural abundance	0.3 mM
2	H2O	natural abundance	50 % v/v
3	isoPrOH	DIMETHYL-D6, 98%	50 % v/v
4	EDTA	natural abundance	0.01 mM

Release date

2021-02-15

Citation

Bacterial Type I Toxins: Folding and Membrane Interactions
Nonin-Lecomte, S., Fermon, L., Felden, B., Pinel-Marie, M.
Toxins (Basel). (2021), 13, 490-490, PubMed 34357962 , DOI 10.3390/toxins13070490 , Abstract

Related entities 1. pepG1, : 1 : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	269		100.0 (chain: 1, length: 31)
1	Chemical shift references	chem_shift_reference_1	OK	1		No information

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
30	LYS	HZ1	7.018
30	LYS	HZ2	7.018
30	LYS	HZ3	7.018
31	LYS	HZ1	7.441
31	LYS	HZ2	7.441
31	LYS	HZ3	7.441

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	203	199	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	64	63	98.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	139	136	97.8

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	10	10	100.0

Keywords pepG1, sprG1, NMR structure, S. aureus, toxin, peptide

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50767_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

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Found 1 Document (0.394 seconds)

BMRB: 50767

Sample

Related entities 1. pepG1, : 1 : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail