BMRBj - BMREntryMaster

Found 1 Document (1.098 seconds)

BMRB: 4558

1K46

1H, 13C, and 15N Assignments for YopH-NT

Authors

Khandelwal, P., Keliikuli, K.E., Smit, C.L., Saper, M.A., Zuiderweg, E.R.

Assembly

YopH-NT monomer

Entity

1. YopH-NT monomer (polymer, Thiol state: not reported), 136 monomers, 14859.41 Da Detail

MNLSLSDLHR QVSRLVQQES GDCTGKLRGN VAANKETTFQ GLTIASGARE SEKVFAQTVL SHVANVVLTQ EDTAKLLQST VKHNLNNYDL RSVGNGNSVL VSLRSDQMTL QDAKVLLEAA LRQESGARGS HHHHHH

Formula weight

14859.41 Da

Source organism

Yersinia pseudotuberculosis

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.9 %, Completeness: 66.8 %, Completeness (bb): 86.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	66.8 % (1011 of 1513)	57.8 % (451 of 780)	76.0 % (439 of 578)	78.1 % (121 of 155)
Backbone	86.8 % (708 of 816)	85.1 % (239 of 281)	87.2 % (348 of 399)	89.0 % (121 of 136)
Sidechain	50.2 % (414 of 824)	42.7 % (213 of 499)	65.7 % (201 of 306)	0.0 % (0 of 19)
Aromatic	3.1 % (2 of 64)	3.1 % (1 of 32)	3.1 % (1 of 32)
Methyl	60.7 % (102 of 168)	58.3 % (49 of 84)	63.1 % (53 of 84)

1. YopH N-terminal domain

MNLSLSDLHR QVSRLVQQES GDCTGKLRGN VAANKETTFQ GLTIASGARE SEKVFAQTVL SHVANVVLTQ EDTAKLLQST VKHNLNNYDL RSVGNGNSVL VSLRSDQMTL QDAKVLLEAA LRQESGARGS HHHHHH

Show sample condition

Sample #1

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	YopH N-terminal domain	[U-90% 2H; U-13C; U-15N]		0.8 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	YopH N-terminal domain	[U-13C; U-15N]		0.0 ~ 0.0 mM

LACS Plot; CA

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

Referencing offset: 1.2 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 1.2 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.21 ppm, Outliers: 2 Detail

Release date

2000-05-04

Citation

1H, 15N and 13C assignments of the N-terminal domain of Yersinia outer protein H in its apo form and in complex with a phosphotyrosine peptide
Khandelwal, P., Keliikuli, K.E., Smit, C.L., Saper, M.A., Zuiderweg, E.R.
J. Biomol. NMR (2001), 21, 69-70, PubMed 11693571 , DOI: , Abstract

Related entities 1. YopH-NT monomer, : 1 : 1 : 2 : 2 entities Detail

Interaction partners 1. YopH-NT monomer, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 7 experiments Detail

1 HNCA

Instrument

#1 Model Varian na (800 MHz)

#2 Model Bruker na (600 MHz)

#3 Model Bruker na (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	YopH N-terminal domain	[U-90% 2H; U-13C; U-15N]		0.8 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	YopH N-terminal domain	[U-13C; U-15N]		0.0 ~ 0.0 mM

2 HNCOCA

Instrument

#1 Model Varian na (800 MHz)

#2 Model Bruker na (600 MHz)

#3 Model Bruker na (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	YopH N-terminal domain	[U-90% 2H; U-13C; U-15N]		0.8 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	YopH N-terminal domain	[U-13C; U-15N]		0.0 ~ 0.0 mM

3 HNCO

Instrument

#1 Model Varian na (800 MHz)

#2 Model Bruker na (600 MHz)

#3 Model Bruker na (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	YopH N-terminal domain	[U-90% 2H; U-13C; U-15N]		0.8 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	YopH N-terminal domain	[U-13C; U-15N]		0.0 ~ 0.0 mM

4 HN(CA)CO

Instrument

#1 Model Varian na (800 MHz)

#2 Model Bruker na (600 MHz)

#3 Model Bruker na (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	YopH N-terminal domain	[U-90% 2H; U-13C; U-15N]		0.8 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	YopH N-terminal domain	[U-13C; U-15N]		0.0 ~ 0.0 mM

5 HNCACB

Instrument

#1 Model Varian na (800 MHz)

#2 Model Bruker na (600 MHz)

#3 Model Bruker na (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	YopH N-terminal domain	[U-90% 2H; U-13C; U-15N]		0.8 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	YopH N-terminal domain	[U-13C; U-15N]		0.0 ~ 0.0 mM

6 CBCACONH

Instrument

#1 Model Varian na (800 MHz)

#2 Model Bruker na (600 MHz)

#3 Model Bruker na (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	YopH N-terminal domain	[U-90% 2H; U-13C; U-15N]		0.8 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	YopH N-terminal domain	[U-13C; U-15N]		0.0 ~ 0.0 mM

7 HCCH-TOCSY

Instrument

#1 Model Varian na (800 MHz)

#2 Model Bruker na (600 MHz)

#3 Model Bruker na (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	YopH N-terminal domain	[U-90% 2H; U-13C; U-15N]		0.8 mM

Sample #2

Temperature 298 (±0.1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	YopH N-terminal domain	[U-13C; U-15N]		0.0 ~ 0.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4558_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: bmr4558_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_set_1	Warning	1081		91.2 (chain: 1, length: 136)
1	Chemical shift references	chemical_shift_reference_set_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 136, Sequence coverage: 91.2%
- Total number of assignments
  - ¹⁵N chemical shifts: 123
  - ¹H chemical shifts: 526
  - ¹³C chemical shifts: 432
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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 (%)
¹⁵N chemical shifts	163	123	75.5
¹H chemical shifts	780	436	55.9
¹³C chemical shifts	578	432	74.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	136	123	90.4
¹H chemical shifts	281	239	85.1
¹³C chemical shifts	272	239	87.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	27	0	0.0
¹H chemical shifts	499	197	39.5
¹³C chemical shifts	306	193	63.1

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Found 1 Document (1.098 seconds)

BMRB: 4558

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YopH-NT monomer, : 1 : 1 : 2 : 2 entities Detail

Interaction partners 1. YopH-NT monomer, : 1 interactors Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail