BMRB Entry 5937

Name: 1H, 13C and 15N Chemical Sift Assignments for PDZ2b domain of PTP-Bas (hPTP1E)
Published: 2003-12-19

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PDB ID: 1q7x
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5937
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C and 15N Chemical Sift Assignments for PDZ2b domain of PTP-Bas (hPTP1E)

Deposition date:

2003-09-08

Original release date:

2003-12-19

Authors:

Kachel, Norman; Erdmann, Kai Sven; Kremer, Werner; Wolff, Peter; Gronwald, Wolfram; Heumann, Rolf; Kalbitzer, Hans Robert

Citation:

Citation: Kachel, Norman; Erdmann, Kai Sven; Kremer, Werner; Wolff, Peter; Gronwald, Wolfram; Heumann, Rolf; Kalbitzer, Hans Robert. "Structure determination and ligand interactions of the PDZ2b domain of PTP-Bas (hPTP1E): Splicing-induced modulation of ligand specificity" J. Mol. Biol. 334, 143-155 (2003).
PubMed: 14596806

Assembly members:

Assembly members:
PDZ2b domain of PTP-Bas, polymer, 108 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: pGEX2T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PDZ2b domain of PTP-Bas: GSSPPKPGDIFEVELAKNDN SLGISVTVLFDKGGVNTSVR HGGIYVKAVIPQGAAESDGR IHKGDRVLAVNGVSLEGATH KQAVETLRNTGQVVHLLLEK GQSPTSKE

Data sets:

assigned_chemical_shifts
- shift_set_1

Data type	Count
13C chemical shifts	318
15N chemical shifts	104
1H chemical shifts	634

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PDZ2b of PTP-Bas, PDZ2b	1

Entities:

Entity 1, PDZ2b of PTP-Bas, PDZ2b 108 residues - Formula weight is not available

1

GLY

SER

PRO

LYS

PRO

GLY

ASP

ILE

2

PHE

GLU

VAL

GLU

LEU

ALA

LYS

ASN

ASP

ASN

3

SER

LEU

GLY

ILE

SER

VAL

THR

VAL

LEU

PHE

4

ASP

LYS

GLY

VAL

ASN

THR

SER

VAL

ARG

5

HIS

GLY

ILE

TYR

VAL

LYS

ALA

VAL

ILE

6

PRO

GLN

GLY

ALA

GLU

SER

ASP

GLY

ARG

7

ILE

HIS

LYS

GLY

ASP

ARG

VAL

LEU

ALA

VAL

8

ASN

GLY

VAL

SER

LEU

GLU

GLY

ALA

THR

HIS

9

LYS

GLN

ALA

VAL

GLU

THR

LEU

ARG

ASN

THR

10

GLY

GLN

VAL

HIS

LEU

GLU

LYS

11

GLY

GLN

SER

PRO

THR

SER

LYS

GLU

Samples:

sample_1: PDZ2b domain of PTP-Bas, [U-13C; U-15N], 2 mM

sample_2: PDZ2b domain of PTP-Bas, [U-15N], 2 mM

sample_3: PDZ2b domain of PTP-Bas 2 mM

Con_1: pH: 6.8; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
15N-HSQC	not available	not available	not available
13C-HSQC	not available	not available	not available
HNCA	not available	not available	not available
HNCO	not available	not available	not available
CBCANH	not available	not available	not available
CBCA(CO)NH	not available	not available	not available
HCCH-TOCSY	not available	not available	not available
15N-TOCSY-HSQC	not available	not available	not available
15N-NOESY-HSQC	not available	not available	not available
13C-NOESY-HSQC	not available	not available	not available
1H-1H-NOESY	not available	not available	not available

Software:

XWIN-NMR - data acquisition, processing

AUREMOL - automated assignment of NOESYs, manual assignment

NMR spectrometers:

Bruker DRX 600 MHz
Bruker DRX 800 MHz