BMRB Entry 7035

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PDB ID: 2frw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR7035
MolProbity Validation Chart

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Nicholas Rego and David Koes
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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 2nd SH3 domain of human NCK2 adaptor protein

Deposition date:

2006-03-29

Original release date:

2007-09-24

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 2nd SH3, polymer, 57 residues, 6559 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
NCK2 2nd SH3: IPAFVKFAYVAEREDELSLV KGSRVTVMEKCSDGWWRGSY NGQIGWFPSNYVLEEVD

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	99
15N chemical shifts	53
1H chemical shifts	311
T1 relaxation values	63
T2 relaxation values	63

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NCK2 2nd SH3	1

Entities:

Entity 1, NCK2 2nd SH3 57 residues - 6559 Da.

1

ILE

PRO

ALA

PHE

VAL

LYS

PHE

ALA

TYR

VAL

2

ALA

GLU

ARG

GLU

ASP

GLU

LEU

SER

LEU

VAL

3

LYS

GLY

SER

ARG

VAL

THR

VAL

MET

GLU

LYS

4

CYS

SER

ASP

GLY

TRP

ARG

GLY

SER

TYR

5

ASN

GLY

GLN

ILE

GLY

TRP

PHE

PRO

SER

ASN

6

TYR

VAL

LEU

GLU

VAL

ASP

Samples:

sample_1: NCK2 2nd SH3, [U-95% 15N], 1.4 ± 0.1 mM; phosphate 20 ± 2 mM; DTT 10 ± 2 mM; D2O 10 ± 2 %

sample_2: NCK2 2nd SH3, [U-95% 13C; U-95% 15N], 1.4 ± 0.1 mM; phosphate 20 ± 2 mM; DTT 10 ± 2 mM; D2O 70 ± 2 %

sample_3: NCK2 2nd SH3, [U-95% 13C; U-95% 15N], 1.4 ± 0.1 mM; phosphate 20 ± 2 mM; DTT 10 ± 2 mM; D2O 10 ± 2 %

conditions_1: pH: 6.8; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N HSQC	not available	not available	conditions_1
HSQC-TOCSY	sample_1	not available	conditions_1
HSQC-NOESY	sample_1	not available	conditions_1
HNCACB/CBCANH	sample_3	not available	conditions_1
HCCH TOCSY/HCCH NOESY	not available	not available	conditions_1
T1/T2/HetNOE	not available	not available	conditions_1

Software:

NMRPipe - raw data processing

NMRView - peak assignment

NMR spectrometers:

Bruker Avance 800 MHz

PDB	2FRW
DBJ	BAI47129
GB	AAC04831 AAC80284 AAH00103 AAH07195 AAY24332
REF	NP_001004720 NP_003572 XP_001109452 XP_001109500 XP_001488099
SP	O43639
AlphaFold	O43639