BMRB Entry 53388

Name: Monomeric bovine Pi3K-SH3 at pH 6.8, 25 mM sodium phosphate, 20 degC
Published: 2025-11-17

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53388

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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:

Monomeric bovine Pi3K-SH3 at pH 6.8, 25 mM sodium phosphate, 20 degC

Deposition date:

2025-10-14

Original release date:

2025-11-17

Authors:

Gardon, Luis; Lakomek, Nils; Heise, Henrike

Citation:

Citation: Gardon, Luis. "Monomeric bovine Pi3K-SH3 at neutral pH" .

Assembly members:

Assembly members:
entity_1, polymer, 86 residues, 9638.61 Da.

Natural source:

Natural source: Common Name: cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-4T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSMSAEGYQYRALYDYKKER EEDIDLHLGDILTVNKGSLV ALGFSDGQEAKPEEIGWLNG YNETTGERGDFPGTYVEYIG RKKISP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
- assigned_chemical_shifts_2

Data type	Count
13C chemical shifts	654
15N chemical shifts	158
1H chemical shifts	158

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Monomeric bovine Pi3K-SH3	1

Entities:

Entity 1, Monomeric bovine Pi3K-SH3 86 residues - 9638.61 Da.

The first two amino acids (GS) remain as a result of thrombin cleavage

1

GLY

SER

MET

SER

ALA

GLU

GLY

TYR

GLN

TYR

2

ARG

ALA

LEU

TYR

ASP

TYR

LYS

GLU

ARG

3

GLU

ASP

ILE

ASP

LEU

HIS

LEU

GLY

ASP

4

ILE

LEU

THR

VAL

ASN

LYS

GLY

SER

LEU

VAL

5

ALA

LEU

GLY

PHE

SER

ASP

GLY

GLN

GLU

ALA

6

LYS

PRO

GLU

ILE

GLY

TRP

LEU

ASN

GLY

7

TYR

ASN

GLU

THR

GLY

GLU

ARG

GLY

ASP

8

PHE

PRO

GLY

THR

TYR

VAL

GLU

TYR

ILE

GLY

9

ARG

LYS

ILE

SER

PRO

Samples:

sample_1: Monomeric bovine Pi3K-SH3 at pH 6.8, [U-99% 13C; U-99% 15N], 250 uM; sodium phosphate 25 mM

sample_conditions_1: ionic strength: 0.025 M; pH: 6.8; pressure: 1 atm; temperature: 293,15 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 13C-13C TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR v2.4.2 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE III 700 MHz
Bruker AVANCE III 800 MHz