BMRB Entry 7036

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PDB ID: 2fry
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7036
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2006-03-29

Original release date:

2011-08-11

Authors:

Liu, Jingxian

Citation:

Citation: Liu, Jingxian; Li, Minfen; Ran, Xiaoyuan; Fan, Jing-song; Song, Jianxing. "Structural Insight into the Binding Diversity between the Human Nck2 SH3 Domains and Proline-Rich Proteins(,)" Biochemistry 45, 7171-7184 (2006).
PubMed: 16752908

Assembly members:

Assembly members:
NCK2 3rd SH3, polymer, 61 residues, 6822 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: recombinant technology Vector: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NCK2 3rd SH3: GSHVVQTLYPFSSVTEEELN FEKGETMEVIEKPENDPEWW KCKNARGQVGLVPKNYVVVL S

Data sets:

assigned_chemical_shifts
- chem_shift_list_1
heteronucl_T1_relaxation
- T1_list_1
heteronucl_T2_relaxation
- T2_list_1

Data type	Count
13C chemical shifts	177
15N chemical shifts	55
1H chemical shifts	338
T1 relaxation values	54
T2 relaxation values	54

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NCK2 3rd SH3	1

Entities:

Entity 1, NCK2 3rd SH3 61 residues - 6822 Da.

1

GLY

SER

HIS

VAL

GLN

THR

LEU

TYR

PRO

2

PHE

SER

VAL

THR

GLU

LEU

ASN

3

PHE

GLU

LYS

GLY

GLU

THR

MET

GLU

VAL

ILE

4

GLU

LYS

PRO

GLU

ASN

ASP

PRO

GLU

TRP

5

LYS

CYS

LYS

ASN

ALA

ARG

GLY

GLN

VAL

GLY

6

LEU

VAL

PRO

LYS

ASN

TYR

VAL

LEU

7

SER

Samples:

sample_1: NCK2 3rd SH3, [U-95% 15N], 2.0 mM; phosphate 20 mM; DTT 10 mM; D2O 10%

sample_2: NCK2 3rd SH3, [U-95% 13C; U-95% 15N], 2.0 mM; phosphate 20 mM; DTT 10 mM; D2O 10%

sample_3: NCK2 3rd SH3, [U-95% 13C; U-95% 15N], 2.0 mM; phosphate 20 mM; DTT 10 mM; D2O 70%

conditions_1: pH: 6.8; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N HSQC	sample_1	not available	not available
HSQC TOCSY	sample_1	not available	not available
HSQC NOESY	sample_1	not available	not available
HNCACB/CBCANH	sample_2	not available	not available
HCCH TOCSY/HCCH NOESY	sample_3	not available	not available
T1/T2/HetNOE	sample_1	not available	not available

Software:

NMRPipe - raw data processing

NMRView - peak assignment

NMR spectrometers:

Bruker Avance 800 MHz

PDB	1U5S 1WX6 2FRY
GB	AAC04831 AAY24332 EPQ18601
PIR	B46243
REF	XP_006103064