BMRB Entry 25945

Name: The NMR Structure of the Cdc42-interacting region of TOCA1
Published: 2016-05-23

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PDB ID: 5frg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25945
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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:

The NMR Structure of the Cdc42-interacting region of TOCA1

Deposition date:

2016-01-08

Original release date:

2016-05-23

Authors:

Mott, Helen; Watson, Joanna; Nietlispach, Daniel; Owen, Darerca

Citation:

Citation: Watson, Joanna; Nietlispach, Daniel; Owen, Darerca; Mott, Helen. "(1)H, (13)C and (15)N resonance assignments of the Cdc42-binding domain of TOCA1" Biomol NMR Assign. 10, 407-411 (2016).
PubMed: 26988723

Assembly members:

Assembly members:
Toca1, polymer, 104 residues, 12092.6373 Da.

Natural source:

Natural source: Common Name: Western clawed frog Taxonomy ID: 8364 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Xenopus Xenopus (Silurana) tropicalis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-6P-1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Toca1: GPLGSHMKGPALEDFSHLPP EQRRKRLQQRIDELSRELQK EMDQKDALNKMKDVYEKNPQ MGDPSSLHPKIAETTSNIER LRMEIHKNEAWLSEVEGKVS QRSE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list
spectral_peak_list

Data type	Count
13C chemical shifts	458
15N chemical shifts	109
1H chemical shifts	755

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Toca1	1

Entities:

Entity 1, Toca1 104 residues - 12092.6373 Da.

1

GLY

PRO

LEU

GLY

SER

HIS

MET

LYS

GLY

PRO

2

ALA

LEU

GLU

ASP

PHE

SER

HIS

LEU

PRO

3

GLU

GLN

ARG

LYS

ARG

LEU

GLN

ARG

4

ILE

ASP

GLU

LEU

SER

ARG

GLU

LEU

GLN

LYS

5

GLU

MET

ASP

GLN

LYS

ASP

ALA

LEU

ASN

LYS

6

MET

LYS

ASP

VAL

TYR

GLU

LYS

ASN

PRO

GLN

7

MET

GLY

ASP

PRO

SER

LEU

HIS

PRO

LYS

8

ILE

ALA

GLU

THR

SER

ASN

ILE

GLU

ARG

9

LEU

ARG

MET

GLU

ILE

HIS

LYS

ASN

GLU

ALA

10

TRP

LEU

SER

GLU

VAL

GLU

GLY

LYS

VAL

SER

11

GLN

ARG

SER

GLU

Samples:

HR1: Toca1, [U-13C; U-15N], 900.0 mM

sample_new_1: Toca1, [U-13C; U-15N], 900 mM

HR1_1: ionic strength: 0.150 M; pH: 7.500; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	HR1	isotropic	HR1_1
3D HNCA	HR1	isotropic	HR1_1
3D HN(CO)CA	HR1	isotropic	HR1_1
3D HNCACB	HR1	isotropic	HR1_1
HN(CO)CACB (H[N[co[{CA\|ca[C]}]]])	HR1	isotropic	HR1_1
3D HNCO	HR1	isotropic	HR1_1
3D HCCH-TOCSY	HR1	isotropic	HR1_1
2D 1H-13C HSQC/HMQC	HR1	isotropic	HR1_1
3D 1H-13C NOESY	HR1	isotropic	HR1_1
3D 1H-15N NOESY	HR1	isotropic	HR1_1
15NHSQC	sample_new_1	solution	HR1_1
HN(CO)CA	sample_new_1	solution	HR1_1

Software:

ARIA2.3 vany, Linge, O'Donoghue and Nilges - chemical shift assignment

AutoDep v4.3, PDBe - collection

CcpNmr_Analysis v2.2, CCPN - Spectrum analysis

aria v2.3, Michael Nilges - structure calculations

azara vany, Wayne Boucher - Spectrum analysis, Spectrum display

ccpNmr vany, CCPN - Spectrum analysis, Spectrum display

NMR spectrometers:

Bruker DRX 500 MHz
Bruker Avance 600 MHz
Bruker DRX 500 MHz
Bruker DRX 500 MHz

UniProt	FBP1L_XENTR
AlphaFold	Q28GK4