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BMRB: 27781

3MXC

NMR assignment of free 1H, 15N and 13C-Grb2-SH2 domain

Authors

Sanches, K., Caruso, I.P., Almeida, F.CL., Melo, F.A.

Assembly

Grb2-SH2

Entity

1. Grb2-SH2 (polymer, Thiol state: not present), 106 monomers, 12370.83 Da Detail

MGSSHHHHHH MKPHPWFFGK IPRAKAEEML SKQRHDGAFL IRESESAPGD FSLSVKFGND VQHFKVLRDG AGKYFLWVVK FNSLNELVDY HRSTSVSRNQ QIFLRD

Formula weight

12370.83 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.3 %, Completeness: 83.6 %, Completeness (bb): 85.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.6 % (1079 of 1290)	83.4 % (563 of 675)	85.7 % (431 of 503)	75.9 % (85 of 112)
Backbone	85.5 % (537 of 628)	84.7 % (182 of 215)	88.1 % (274 of 311)	79.4 % (81 of 102)
Sidechain	83.2 % (633 of 761)	82.8 % (381 of 460)	85.2 % (248 of 291)	40.0 % (4 of 10)
Aromatic	67.6 % (115 of 170)	68.2 % (58 of 85)	66.3 % (55 of 83)	100.0 % (2 of 2)
Methyl	95.2 % (80 of 84)	95.2 % (40 of 42)	95.2 % (40 of 42)

1. SH2-Grb2

MGSSHHHHHH MKPHPWFFGK IPRAKAEEML SKQRHDGAFL IRESESAPGD FSLSVKFGND VQHFKVLRDG AGKYFLWVVK FNSLNELVDY HRSTSVSRNQ QIFLRD

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Concentration
1	SH2-Grb2	[U-13C; U-15N]	350 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	200 mM
4	PMSF	natural abundance	1 mM
5	EDTA	natural abundance	1 mM
6	sodium azide	natural abundance	5 mM
7	D2O	natural abundance	10 %
8	H2O	natural abundance	90 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.7 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: -0.31 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.7 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: -0.31 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.7 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	external	indirect	0.2514495
¹H	water	protons	4.7 ppm	external	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	external	indirect	0.1013291

Referencing offset: 0.31 ppm, Outliers: 1 Detail

Release date

2019-02-10

Citation

NMR assignment of free ¹H, ¹⁵N and ¹³C-Grb2-SH2 domain
Sanches, K., Caruso, I.P., Almeida, F.CL., Melo, F.A.
Biomol. NMR Assign. (2019), 13, 295-298, PubMed 31028611 , DOI 10.1007/s12104-019-09894-x , Abstract

Related entities 1. Grb2-SH2, : 1 : 40 : 103 entities Detail

Interaction partners 1. Grb2-SH2, : 76 interactors Detail

More details for 76 interactors identified by 38 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC