BMRB: 7036

Backbone 1H, 13C, and 15N Chemical Shift Assignments for 3rd SH3 domain of human NCK2 adaptor protein

Authors

Liu, J.

Assembly

NCK2 3rd SH3

Entity

1. NCK2 3rd SH3 (polymer, Thiol state: all free), 61 monomers, 6966.762 Da Detail

GSHVVQTLYP FSSVTEEELN FEKGETMEVI EKPENDPEWW KCKNARGQVG LVPKNYVVVL S

Formula weight

6966.762 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

distance geometry, simulated annealing

Data set

assigned_chemical_shifts, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 70.4 %, Completeness (bb): 81.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	70.4 % (512 of 727)	73.1 % (277 of 379)	63.3 % (179 of 283)	86.2 % (56 of 65)
Backbone	81.0 % (290 of 358)	94.3 % (115 of 122)	66.5 % (119 of 179)	98.2 % (56 of 57)
Sidechain	65.3 % (278 of 426)	62.6 % (161 of 257)	72.7 % (117 of 161)	0.0 % (0 of 8)
Aromatic	0.0 % (0 of 64)	0.0 % (0 of 32)	0.0 % (0 of 30)	0.0 % (0 of 2)
Methyl	96.9 % (62 of 64)	96.9 % (31 of 32)	96.9 % (31 of 32)

1. NCK2 3rd SH3

GSHVVQTLYP FSSVTEEELN FEKGETMEVI EKPENDPEWW KCKNARGQVG LVPKNYVVVL S

Show sample condition

Sample

Temperature 298 K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	NCK2 3rd SH3	[U-95% 15N]		2.0 mM
2	phosphate			20 mM
3	DTT			10 mM
4	D2O			10 %

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LACS Plot; CA

Referencing offset: 1.53 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; CB

Referencing offset: 1.53 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; HA

Referencing offset: 0.01 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

Calculated from 10 models in PDB: 2FRY, Strand ID: A Detail

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Heteronucl. T₁

54 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 800.154 MHz, Temperature 298 K, pH 6.8 (±0.1) Detail

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Temperature 298 K, pH 6.8 (±0.1)

Experiment name T1/T2/HetNOE

Heteronucl. T₂

54 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 800.154 MHz, Temperature 298 K, pH 6.8 (±0.1) Detail

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Temperature 298 K, pH 6.8 (±0.1)

Experiment name T1/T2/HetNOE

Heteronucl. T₁/T₂

54 T₁/T₂ values in 1 lists
Field strength (¹H) 800.154 MHz, Temperature 298 K, pH 6.8 (±0.1) Detail

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Temperature 298 K, pH 6.8 (±0.1)

Release date

2011-08-10

Citation

Structural insight into the binding diversity between the human Nck2 SH3 domains and proline-rich proteins
Liu, J., Li, M., Ran, X., Fan, J., Song, J.
Biochemistry (2006), 45, 7171-7184, PubMed 16752908 , DOI 10.1021/bi060091y , Abstract

Related entities 1. NCK2 3rd SH3, : 1 : 4 : 388 entities Detail

Interaction partners 1. NCK2 3rd SH3, : 77 interactors Detail

Experiments performed 6 experiments Detail