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BMRB: 18662

2LX7

Solution NMR structure of SH3 domain of growth arrest-specific protein 7 (GAS7)(fragment 1-60)from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8574A

Authors

Yang, Y., Ramelot, T.A., Dan, L., Kohan, E., Janjua, H., Xiao, R., Acton, T., Everett, J.K., Montelione, G.T., Kennedy, M.A.

Assembly

SH3 domain of GAS7

Entity

1. SH3 domain of GAS7 (polymer, Thiol state: all free), 60 monomers, 6711.515 Da Detail

MSGARCRTLY PFSGERHGQG LRFAAGELIT LLQVPDGGWW EGEKEDGLRG WFPASYVQLL

Formula weight

6711.515 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.3 %, Completeness: 92.3 %, Completeness (bb): 92.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.3 % (644 of 698)	89.3 % (324 of 363)	95.2 % (259 of 272)	96.8 % (61 of 63)
Backbone	92.4 % (327 of 354)	89.8 % (114 of 127)	92.9 % (158 of 170)	96.5 % (55 of 57)
Sidechain	92.6 % (365 of 394)	89.0 % (210 of 236)	98.0 % (149 of 152)	100.0 % (6 of 6)
Aromatic	100.0 % (86 of 86)	100.0 % (43 of 43)	100.0 % (40 of 40)	100.0 % (3 of 3)
Methyl	94.6 % (53 of 56)	89.3 % (25 of 28)	100.0 % (28 of 28)

1. SH3 domain of GAS7

MSGARCRTLY PFSGERHGQG LRFAAGELIT LLQVPDGGWW EGEKEDGLRG WFPASYVQLL

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.45 mM HR8574A.006, U-15N/U-5%13C

#	Name	Isotope labeling	Concentration
11	SH3_domain_of_GAS7	[U-10% 13C; U-100% 15N]	0.45 (±0.02) mM
12	NaN3	natural abundance	0.02 (±0.001) %
13	DTT	natural abundance	10 (±0.05) mM
14	CaCL2	natural abundance	5 (±0.025) mM
15	NaCL	natural abundance	100 (±0.5) mM
16	Proteinase Inhibitors	natural abundance	1 na
17	MES pH 6.5	natural abundance	20 (±0.01) mM
18	D2O	natural abundance	10 (±0.005) %
19	DSS	natural abundance	50 (±0.025) uM
20	H2O	natural abundance	90 (±0.005) %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.26 mM HR8574A.005, 100% D2O

#	Name	Isotope labeling	Concentration
21	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
22	NaN3	natural abundance	0.02 (±0.001) %
23	DTT	natural abundance	10 (±0.05) mM
24	CaCL2	natural abundance	5 (±0.025) mM
25	NaCL	natural abundance	100 (±0.5) mM
26	Proteinase Inhibitors	natural abundance	1 na
27	MES pH 6.5	natural abundance	20 (±0.01) mM
28	DSS	natural abundance	50 (±0.025) uM
29	D2O	natural abundance	100 (±0.005) %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: -0.31 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: -0.31 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: 0.3 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LX7, Strand ID: A Detail

Release date

2012-10-08

Related entities 1. SH3 domain of GAS7, : 1 : 2 : 291 entities Detail

Interaction partners 1. SH3 domain of GAS7, : 28 interactors Detail

More details for 28 interactors identified by 5 citations

Experiments performed 21 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

3 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

5 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

6 3D 1H-15N NOESY

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

7 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

8 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

9 4D CC-NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.26 mM HR8574A.005, 100% D2O

#	Name	Isotope labeling	Concentration
21	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
22	NaN3	natural abundance	0.02 (±0.001) %
23	DTT	natural abundance	10 (±0.05) mM
24	CaCL2	natural abundance	5 (±0.025) mM
25	NaCL	natural abundance	100 (±0.5) mM
26	Proteinase Inhibitors	natural abundance	1 na
27	MES pH 6.5	natural abundance	20 (±0.01) mM
28	DSS	natural abundance	50 (±0.025) uM
29	D2O	natural abundance	100 (±0.005) %

10 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

11 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

12 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

13 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

14 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

15 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

16 3D HCCH-COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

17 3D HNHA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

18 3D (H)CCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.26 mM HR8574A.005, 100% D2O

#	Name	Isotope labeling	Concentration
21	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
22	NaN3	natural abundance	0.02 (±0.001) %
23	DTT	natural abundance	10 (±0.05) mM
24	CaCL2	natural abundance	5 (±0.025) mM
25	NaCL	natural abundance	100 (±0.5) mM
26	Proteinase Inhibitors	natural abundance	1 na
27	MES pH 6.5	natural abundance	20 (±0.01) mM
28	DSS	natural abundance	50 (±0.025) uM
29	D2O	natural abundance	100 (±0.005) %

19 2D 1H-13C HSQC-arom

Instrument

Bruker Avance - 850 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

20 2D 1H-15N HSQC-Histidine

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.262 mM HR8574A.005, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	SH3_domain_of_GAS7	[U-100% 13C; U-100% 15N]	0.26 (±0.02) mM
2	NaN3	natural abundance	0.02 (±0.001) %
3	DTT	natural abundance	10 (±0.05) mM
4	CaCL2	natural abundance	5 (±0.025) mM
5	NaCL	natural abundance	100 (±0.5) mM
6	Proteinase Inhibitors	natural abundance	1 na
7	MES pH 6.5	natural abundance	20 (±0.01) mM
8	D2O	natural abundance	10 (±0.005) %
9	DSS	natural abundance	50 (±0.025) uM
10	H2O	natural abundance	90 (±0.005) %

21 2D 1H-13C HSQC - NC5

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.45 mM HR8574A.006, U-15N/U-5%13C

#	Name	Isotope labeling	Concentration
11	SH3_domain_of_GAS7	[U-10% 13C; U-100% 15N]	0.45 (±0.02) mM
12	NaN3	natural abundance	0.02 (±0.001) %
13	DTT	natural abundance	10 (±0.05) mM
14	CaCL2	natural abundance	5 (±0.025) mM
15	NaCL	natural abundance	100 (±0.5) mM
16	Proteinase Inhibitors	natural abundance	1 na
17	MES pH 6.5	natural abundance	20 (±0.01) mM
18	D2O	natural abundance	10 (±0.005) %
19	DSS	natural abundance	50 (±0.025) uM
20	H2O	natural abundance	90 (±0.005) %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18662_2lx7.nef
Input source #2: Coordindates	2lx7.cif
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

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60
MSGARCRTLYPFSGERHGQGLRFAAGELITLLQVPDGGWWEGEKEDGLRGWFPASYVQLL
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSGARCRTLYPFSGERHGQGLRFAAGELITLLQVPDGGWWEGEKEDGLRGWFPASYVQLL

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	60	0	0	100.0

Content subtype: combined_18662_2lx7.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	687		100.0 (chain: A, length: 60)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	570 (1)	noe	90.0 (chain: A, length: 60)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	80 (80)	.	85.0 (chain: A, length: 60)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 357
  - ¹³C chemical shifts: 266
  - ¹⁵N chemical shifts: 64
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
8	THR	HG1	6.06
17	HIS	ND1	214.4
17	HIS	NE2	176.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	363	356	98.1
¹³C chemical shifts	272	266	97.8
¹⁵N chemical shifts	68	62	91.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	127	125	98.4
¹³C chemical shifts	120	114	95.0
¹⁵N chemical shifts	57	55	96.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	236	231	97.9
¹³C chemical shifts	152	152	100.0
¹⁵N chemical shifts	11	7	63.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	28	96.6
¹³C chemical shifts	29	29	100.0

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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 90.0%
- Total number of restraints: 570
- Weight of restraints: 1.0 (570)
- Potential type of restraints: square-well-parabolic (570)
- Range of distance target values: 2.25, 3.9 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 60, Sequence coverage: 85.0%
- Total number of restraints: 80
- Total number of restraints per polymer type: 80
- Weight of restraints: 1.0 (80)
- Potential type of restraints: square-well-parabolic (80)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords GAS7, NESG, NMR structure, SH3, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), Protein NMR, Protein Structure Initiative, PSI-Biology, Structural Genomics, Target HR8574A

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Found 1 Document (0.796 seconds)

BMRB: 18662

Sample #1

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. SH3 domain of GAS7, : 1 : 2 : 291 entities Detail

Interaction partners 1. SH3 domain of GAS7, : 28 interactors Detail

Experiments performed 21 experiments Detail

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NMR combined restraints 4 contents Detail