BMRB Entry 50868

Name: SOCS2-SH2_GHRpY
Published: 2021-09-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50868

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

SOCS2-SH2_GHRpY

Deposition date:

2021-04-01

Original release date:

2021-09-28

Authors:

Tan, Cyrus; Babon, Jeffrey; Linossi, Edmond

Citation:

Citation: Linossi, Edmond; Li, Kunlun; Veggiani, Gianluca; Tan, Cyrus; Dehkhoda, Farhad; Hockings, Colin; Calleja, Dale; Keating, Narelle; Feltham, Rebecca; Brooks, Andrew; Li, Shawn; Sidhu, Sachdev; Babon, Jeffrey; Kershaw, Nadia; Nicholson, Sandra. "Identification of a novel exosite on the SOCS2-SH2 domain that enhances its binding to phosphorylated ligands" Nat. Commun. 12, 7032-7032 (2021).
PubMed: 34857742

Assembly members:

Assembly members:
entity_1, polymer, 128 residues, Formula weight is not available
entity_2, polymer, 13 residues, Formula weight is not available

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 Host organism: Escherichia coli Vector: pGEX-4T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: QAARLAKALRELGQTGWYWG SMTVNEAKEKLKEAPEGTFL IRDSSHSDYLLTISVKTSAG PTNLRIEYQDGKFRLDSIIC VKSKLKQFDSVVHLIDYYVQ MCKDKRTGPEAPRNGTVHLY LTKPLYTS
entity_2: PVPDXTSIHIVLM

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	88
15N chemical shifts	88
1H chemical shifts	89

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SOCS2-SH2	1
2	GHRpY	2

Entities:

Entity 1, SOCS2-SH2 128 residues - Formula weight is not available

SH2 domain of human SOCS2. No SOCS-box.

1

GLN

ALA

ARG

LEU

ALA

LYS

ALA

LEU

ARG

2

GLU

LEU

GLY

GLN

THR

GLY

TRP

TYR

TRP

GLY

3

SER

MET

THR

VAL

ASN

GLU

ALA

LYS

GLU

LYS

4

LEU

LYS

GLU

ALA

PRO

GLU

GLY

THR

PHE

LEU

5

ILE

ARG

ASP

SER

HIS

SER

ASP

TYR

LEU

6

LEU

THR

ILE

SER

VAL

LYS

THR

SER

ALA

GLY

7

PRO

THR

ASN

LEU

ARG

ILE

GLU

TYR

GLN

ASP

8

GLY

LYS

PHE

ARG

LEU

ASP

SER

ILE

CYS

9

VAL

LYS

SER

LYS

LEU

LYS

GLN

PHE

ASP

SER

10

VAL

HIS

LEU

ILE

ASP

TYR

VAL

GLN

11

MET

CYS

LYS

ASP

LYS

ARG

THR

GLY

PRO

GLU

12

ALA

PRO

ARG

ASN

GLY

THR

VAL

HIS

LEU

TYR

13

LEU

THR

LYS

PRO

LEU

TYR

THR

SER

Entity 2, GHRpY 13 residues - Formula weight is not available

1

PRO

VAL

PRO

ASP

PTR

THR

SER

ILE

HIS

ILE

2

VAL

LEU

MET

Samples:

sample_1: SOCS2-SH2, [U-100% 13C; U-100% 15N], 70 uM; Phosphorylated Growth Hormone Receptor Peptide 140 uM; HEPES 20 mM; NaCl 50 mM; TCEP 2 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - processing

CARA - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks