BMRBj - BMREntryMaster

Found 1 Document (2.184 seconds)

BMRB: 6793

1YX0

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus Subtilis Protein Ysne: The Northeast Structural Genomics Consortium Target SR220

Authors

Liu, G., Ma, L., Shen, Y., Xiao, R., Acton, T.A., Montelione, G.T., Szyperski, T.

Assembly

Protein Ysne

Entity

1. Protein Ysne (polymer, Thiol state: all free), 160 monomers, 18246.44 Da Detail

MHIKIDDLTG RQVVSLVNEH LHSMTLMSPP ESIHALGLEK LRGPEITFWS AWEGDELAGC GALKELDTRH GEIKSMRTSA SHLRKGVAKQ VLQHIIEEAE KRGYERLSLE TGSMASFEPA RKLYESFGFQ YCEPFADYGE DPNSVFMTKK LLEHHHHHHE

Formula weight

18246.44 Da

Source organism

Bacillus subtilis

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.5 %, Completeness: 80.8 %, Completeness (bb): 77.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.8 % (1511 of 1870)	86.9 % (846 of 974)	70.8 % (520 of 734)	89.5 % (145 of 162)
Backbone	77.8 % (738 of 948)	88.7 % (289 of 326)	66.7 % (312 of 468)	89.0 % (137 of 154)
Sidechain	84.7 % (906 of 1070)	86.0 % (557 of 648)	82.4 % (341 of 414)	100.0 % (8 of 8)
Aromatic	60.1 % (101 of 168)	72.6 % (61 of 84)	46.3 % (38 of 82)	100.0 % (2 of 2)
Methyl	97.4 % (150 of 154)	97.4 % (75 of 77)	97.4 % (75 of 77)

1. Protein Ysne

MHIKIDDLTG RQVVSLVNEH LHSMTLMSPP ESIHALGLEK LRGPEITFWS AWEGDELAGC GALKELDTRH GEIKSMRTSA SHLRKGVAKQ VLQHIIEEAE KRGYERLSLE TGSMASFEPA RKLYESFGFQ YCEPFADYGE DPNSVFMTKK LLEHHHHHHE

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Protein Ysne	[U-13C; U-15N]		0.5 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 2 Detail

Release date

2006-09-05

Citation

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus Subtilis Protein Ysne: The Northeast Structural Genomics Consortium Target SR220
Liu, G., Ma, Y., Shen, Y., Xiao, R., Acton, T.A., Montelione, G.T., Szyperski, T.
Proteins

Related entities 1. Protein Ysne, : 1 : 1 : 4 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6793_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

None

Content subtype: bmr6793_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1656		92.5 (chain: 1, length: 160)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 160, Sequence coverage: 92.5%
- Total number of assignments
  - ¹H chemical shifts: 1022
  - ¹³C chemical shifts: 491
  - ¹⁵N chemical shifts: 143
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	326	295	90.5
¹³C chemical shifts	320	148	46.3
¹⁵N chemical shifts	154	135	87.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	648	571	88.1
¹³C chemical shifts	414	343	82.9
¹⁵N chemical shifts	16	8	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	83	78	94.0
¹³C chemical shifts	83	78	94.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	974	866	88.9
¹³C chemical shifts	734	491	66.9
¹⁵N chemical shifts	170	143	84.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	84	61	72.6
¹³C chemical shifts	82	38	46.3
¹⁵N chemical shifts	2	2	100.0

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Found 1 Document (2.184 seconds)

BMRB: 6793

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Protein Ysne, : 1 : 1 : 4 entities Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail