BMRBj - BMREntryMaster

Found 1 Document (1.493 seconds)

BMRB: 5388

1H3H

1H,13C and 15N resonance assignments of gads c-terminal SH3 domain in complex with a peptide of SLP76

Authors

Liu, Q., Li, S.SHUN-CHENG.

Assembly

Gads C-terminal SH3 domain

Entity

1. Gads C-terminal SH3 (polymer, Thiol state: not present), 75 monomers, 8409.365 Da Detail

GSRRASVGSV QLQAAGRVRW ARALYDFEAL EEDELGFRSG EVVEVLDSSN PSWWTGRLHN KLGLFPANYV APMMR

2. peptide of SLP76 (polymer, Thiol state: not present), 11 monomers, 1142.262 Da Detail

APSIDRSTKP A

Total weight

9551.627 Da

Max. entity weight

8409.365 Da

Source organism

Mus musculus , Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 87.2 %, Completeness: 85.5 %, Completeness (bb): 87.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.5 % (835 of 977)	85.8 % (436 of 508)	84.2 % (320 of 380)	88.8 % (79 of 89)
Backbone	87.0 % (440 of 506)	87.4 % (152 of 174)	86.5 % (217 of 251)	87.7 % (71 of 81)
Sidechain	84.4 % (464 of 550)	85.0 % (284 of 334)	82.7 % (172 of 208)	100.0 % (8 of 8)
Aromatic	75.6 % (65 of 86)	88.4 % (38 of 43)	60.0 % (24 of 40)	100.0 % (3 of 3)
Methyl	88.6 % (78 of 88)	88.6 % (39 of 44)	88.6 % (39 of 44)

1. Gads C-terminal SH3

GSRRASVGSV QLQAAGRVRW ARALYDFEAL EEDELGFRSG EVVEVLDSSN PSWWTGRLHN KLGLFPANYV APMMR

2. peptide of SLP76

APSIDRSTKP A

Show sample condition

Sample

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Chem. Shift Complete2

Sequence coverage: 33.7 %, Completeness: 53.4 %, Completeness (bb): 56.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	53.4 % (1044 of 1954)	53.4 % (543 of 1016)	52.5 % (399 of 760)	57.3 % (102 of 178)
Backbone	56.2 % (569 of 1012)	56.3 % (196 of 348)	55.6 % (279 of 502)	58.0 % (94 of 162)
Sidechain	51.5 % (567 of 1100)	51.9 % (347 of 668)	51.0 % (212 of 416)	50.0 % (8 of 16)
Aromatic	37.8 % (65 of 172)	44.2 % (38 of 86)	30.0 % (24 of 80)	50.0 % (3 of 6)
Methyl	54.0 % (95 of 176)	53.4 % (47 of 88)	54.5 % (48 of 88)

1. Gads C-terminal SH3

GSRRASVGSV QLQAAGRVRW ARALYDFEAL EEDELGFRSG EVVEVLDSSN PSWWTGRLHN KLGLFPANYV APMMR

2. peptide of SLP76

APSIDRSTKP A

Show sample condition

Sample

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

Release date

2002-11-04

Citation 1

1H, 13C and 15N resonance assignments of Gads C-terminal SH3 domain in complex with an RXXK motif-containing peptide derived from SLP-76
Liu, Q., Li, S.SHUN-CHENG.
J. Biomol. NMR (2002), 24, 161-162, PubMed 12495033 , Abstract

Show more 1 citaion

Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. Gads C-terminal SH3, : 2 : 40 entities Detail

Related entities 2. peptide of SLP76, : 1 : 1 entities Detail

Experiments performed 10 experiments Detail

1 1H,15N HSQC

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

2 HNCACB

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

3 CBCACONH

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

4 HNCO

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

5 13C,15N NOESY-HSQC

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

6 half-filtered NOESY-HSQC

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

7 HCC(CO)NH

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

8 CC(CO)NH

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

9 (HB)CB(CGCD)HD

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

10 (HB)CB(CGCDCE)HE

Instrument

Model Varian INOVA (600 MHz)

Sample #1

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	Gads C-terminal SH3	[U-13C; U-15N]		1.0 mM

Sample #2

Temperature 285 (±0.1) K, pH 6.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	peptide of SLP76	[U-13C; U-15N]		1.0 mM

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5388_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: bmr5388_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	898	98.7 (chain: 1, length: 75)
2	Assigned chemical shifts	shift_set_2	Warning	122	100.0 (chain: 2, length: 11)
1	Chemical shift references	chemical_shift_reference	OK	3	No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 75, Sequence coverage: 98.7%
- Total number of assignments
  - ¹³C chemical shifts: 313
  - ¹H chemical shifts: 507
  - ¹⁵N chemical shifts: 78
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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
Saveframe: shift_set_2
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 11, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 71
  - ¹³C chemical shifts: 42
  - ¹⁵N chemical shifts: 9
- Completeness of assignments
  - Entity_assemble_ID: 2
- 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: 2

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
11	GLN	CD	180.2
13	GLN	CD	180.2
60	ASN	CG	178.3
68	ASN	CG	176.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	334	309	92.5
¹H chemical shifts	446	425	95.3
¹⁵N chemical shifts	88	78	88.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	150	145	96.7
¹H chemical shifts	154	150	97.4
¹⁵N chemical shifts	72	70	97.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	184	164	89.1
¹H chemical shifts	292	275	94.2
¹⁵N chemical shifts	16	8	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	41	41	100.0
¹H chemical shifts	41	41	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	40	20	50.0
¹H chemical shifts	43	34	79.1
¹⁵N chemical shifts	3	3	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	61	98.4
¹³C chemical shifts	46	42	91.3
¹⁵N chemical shifts	10	9	90.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	20	19	95.0
¹³C chemical shifts	22	18	81.8
¹⁵N chemical shifts	9	8	88.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	42	100.0
¹³C chemical shifts	24	24	100.0
¹⁵N chemical shifts	1	1	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	5	100.0
¹³C chemical shifts	5	5	100.0

Keywords protein

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Found 1 Document (1.493 seconds)

BMRB: 5388

Sample

Sample

Related entities 1. Gads C-terminal SH3, : 2 : 40 entities Detail

Related entities 2. peptide of SLP76, : 1 : 1 entities Detail

Experiments performed 10 experiments Detail

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Chemical shift validation 5 contents Detail