BMRBj - BMREntryMaster

Found 1 Document (1.713 seconds)

BMRB: 6503

2PTK

1H, 13C, and 15N complete chemical shift assignments for the apo v-Src SH2 domain

Authors

Taylor, J.D., Williams, M.A., Ababou, A., Ladbury, J.E.

Assembly

apo v-Src SH2

Entity

1. apo v-Src SH2 (polymer, Thiol state: all free), 106 monomers, 12167.58 Da Detail

QAEEWYFGKI TRRESERLLL NPENPRGTFL VRESETTKGA YCLSVSDFDN AKGLNVKHYK IRKLDSGGFY ITSRTQFSSL QQLVAYYSKH ADGLCHRLTN VCPTSK

Formula weight

12167.58 Da

Source organism

Rous sarcoma virus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.9 %, Completeness (bb): 94.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.9 % (1143 of 1258)	90.9 % (597 of 657)	89.8 % (438 of 488)	95.6 % (108 of 113)
Backbone	94.6 % (596 of 630)	95.8 % (207 of 216)	93.6 % (291 of 311)	95.1 % (98 of 103)
Sidechain	88.4 % (643 of 727)	88.4 % (390 of 441)	88.0 % (243 of 276)	100.0 % (10 of 10)
Aromatic	55.7 % (68 of 122)	54.1 % (33 of 61)	56.7 % (34 of 60)	100.0 % (1 of 1)
Methyl	97.1 % (99 of 102)	98.0 % (50 of 51)	96.1 % (49 of 51)

1. v-Src SH2 domain

QAEEWYFGKI TRRESERLLL NPENPRGTFL VRESETTKGA YCLSVSDFDN AKGLNVKHYK IRKLDSGGFY ITSRTQFSSL QQLVAYYSKH ADGLCHRLTN VCPTSK

Show sample condition

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 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: -0.37 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: -0.37 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: 0.02 ppm, Outliers: 2 Detail

LACS Plot; CO

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: -0.33 ppm, Outliers: 4 Detail

Release date

2005-10-23

Citation

NMR assignment of the apo and peptide-bound SH2 domain from the Rous sarcoma viral protein Src
Taylor, J.D., Fawaz, R.R., Ababou, A., Williams, M.A., Ladbury, J.E.
J. Biomol. NMR (2005), 32, 339-339, PubMed 16211495 , DOI 10.1007/s10858-005-0471-7

Related entities 1. apo v-Src SH2, : 1 : 7 : 1 : 14 : 274 entities Detail

Interaction partners 1. apo v-Src SH2, : 19 interactors Detail

More details for 19 interactors identified by 16 citations

Experiments performed 14 experiments Detail

1 HNCA

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

2 HNCACB

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

3 HNCO

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

4 CBCACONH

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

5 C(CO)NH

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

6 1H-15N HSQC

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

7 1H-13C HSQC

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

8 1H-15N NOESY-HSQC

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

9 1H-15N TOWNY-HSQC

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

10 1H-13C NOESY-HSQC

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

11 1H-13C HCCH-TOCSY

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

12 HNHA

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

13 HNHB

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

14 CBHD

Instrument

#1 Model Varian UNITY-INOVA (800 MHz)

#2 Model Varian UNITY-INOVA (600 MHz)

#3 Model Varian UNITY-INOVA (500 MHz)

Sample #1

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	v-Src SH2 domain	[U-95% 13C; U-90% 15N]		0.5 mM
2	NaCl			50 mM

Sample #2

Temperature 298 (±0.2) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	v-Src SH2 domain	[U-90% 15N]		0.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6503_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: bmr6503_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	Chemical_shifts	Warning	1278		100.0 (chain: 1, length: 106)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: Chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 106, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 456
  - ¹H chemical shifts: 702
  - ¹⁵N chemical shifts: 120
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
1	GLN	CD	180.933
21	ASN	CG	177.415
50	ASN	CG	177.251
55	ASN	CG	176.947
76	GLN	CD	179.944
81	GLN	CD	180.714
82	GLN	CD	180.347
100	ASN	CG	177.119

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	488	448	91.8
¹H chemical shifts	657	602	91.6
¹⁵N chemical shifts	121	120	99.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	212	201	94.8
¹H chemical shifts	216	215	99.5
¹⁵N chemical shifts	103	102	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	276	247	89.5
¹H chemical shifts	441	387	87.8
¹⁵N chemical shifts	18	18	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	51	50	98.0
¹H chemical shifts	51	50	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	60	32	53.3
¹H chemical shifts	61	33	54.1
¹⁵N chemical shifts	1	1	100.0

Keywords Rous sarcoma virus, RSV, SH2, Src homolgy 2

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Found 1 Document (1.713 seconds)

BMRB: 6503

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. apo v-Src SH2, : 1 : 7 : 1 : 14 : 274 entities Detail

Interaction partners 1. apo v-Src SH2, : 19 interactors Detail

Experiments performed 14 experiments Detail

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Chemical shift validation 3 contents Detail