BMRB: 7035

Backbone 1H, 13C, and 15N Chemical Shift Assignments for 2nd SH3 domain of human NCK2 adaptor protein

Authors

Liu, J.

Assembly

NCK2 2nd SH3

Entity

1. NCK2 2nd SH3 (polymer, Thiol state: all free), 57 monomers, 6560.295 Da Detail

IPAFVKFAYV AEREDELSLV KGSRVTVMEK CSDGWWRGSY NGQIGWFPSN YVLEEVD

Formula weight

6560.295 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: 94.7 %, Completeness: 62.0 %, Completeness (bb): 78.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	62.0 % (419 of 676)	73.9 % (258 of 349)	40.6 % (108 of 266)	86.9 % (53 of 61)
Backbone	78.7 % (266 of 338)	94.9 % (111 of 117)	61.4 % (102 of 166)	96.4 % (53 of 55)
Sidechain	51.3 % (200 of 390)	63.4 % (147 of 232)	34.9 % (53 of 152)	0.0 % (0 of 6)
Aromatic	15.6 % (14 of 90)	20.0 % (9 of 45)	11.9 % (5 of 42)	0.0 % (0 of 3)
Methyl	50.0 % (28 of 56)	92.9 % (26 of 28)	7.1 % (2 of 28)

1. NCK2 2nd SH3

IPAFVKFAYV AEREDELSLV KGSRVTVMEK CSDGWWRGSY NGQIGWFPSN YVLEEVD

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Sample

Temperature 298 K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	NCK2 2nd SH3	[U-95% 15N]	protein	1.4 (±0.1) mM
2	phosphate		buffer	20 (±2.0) mM
3	DTT		salt	10 (±2.0) mM
4	D2O		buffer	10 (±2.0) %

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LACS Plot; CA

Referencing offset: 1.98 ppm, Outliers: 3 Detail

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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: 1.98 ppm, Outliers: 3 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: -0.13 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: 2FRW, Strand ID: A Detail

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Heteronucl. T₁

63 T₁ values in 1 lists
Coherence Sz, Field strength (¹H) 800.145 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

63 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

Release date

2007-09-23

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 2nd SH3, : 1 : 2 : 1 : 446 entities Detail

Interaction partners 1. NCK2 2nd SH3, : 74 interactors Detail

Experiments performed 6 experiments Detail