BMRB Entry 18982

Name: Transcriptional regulatory protein
Published: 2013-12-09

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PDB ID: 2m41
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR18982
MolProbity Validation Chart

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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:

Transcriptional regulatory protein

Deposition date:

2013-01-28

Original release date:

2013-12-09

Authors:

de Chiara, Cesira; Kelly, Geoff; Pastore, Annalisa

Citation:

Citation: de Chiara, Cesira; Menon, Rajesh; Kelly, Geoff; Pastore, Annalisa. "Protein-Protein Interactions as a Strategy towards Protein-Specific Drug Design: The Example of Ataxin-1" PLoS One 8, e76456-e76456 (2013).
PubMed: 24155902

Assembly members:

Assembly members:
CIC_polypeptide, polymer, 15 residues, 1726.026 Da.
Ataxin-1_AXH, polymer, 126 residues, 13517.461 Da.

Natural source:

Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: Escherichia coli Vector: n/a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CIC_polypeptide: VFPWHSLVPFLAPSQ
Ataxin-1_AXH: GAMAPPTLPPYFMKGSIIQL ANGELKKVEDLKTEDFIQSA EISNDLKIDSSTVERIEDSH SPGVAVIQFAVGEHRAQVSV EVLVEYPFFVFGQGWSSCCP ERTSQLFDLPCSKLSVGDVC ISLTLK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	390
15N chemical shifts	124
1H chemical shifts	906

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CIC_polypeptide	1
2	Ataxin-1_AXH	2

Entities:

Entity 1, CIC_polypeptide 15 residues - 1726.026 Da.

1

VAL

PHE

PRO

TRP

HIS

SER

LEU

VAL

PRO

PHE

2

LEU

ALA

PRO

SER

GLN

Entity 2, Ataxin-1_AXH 126 residues - 13517.461 Da.

1

GLY

ALA

MET

ALA

PRO

THR

LEU

PRO

2

TYR

PHE

MET

LYS

GLY

SER

ILE

GLN

LEU

3

ALA

ASN

GLY

GLU

LEU

LYS

VAL

GLU

ASP

4

LEU

LYS

THR

GLU

ASP

PHE

ILE

GLN

SER

ALA

5

GLU

ILE

SER

ASN

ASP

LEU

LYS

ILE

ASP

SER

6

SER

THR

VAL

GLU

ARG

ILE

GLU

ASP

SER

HIS

7

SER

PRO

GLY

VAL

ALA

VAL

ILE

GLN

PHE

ALA

8

VAL

GLY

GLU

HIS

ARG

ALA

GLN

VAL

SER

VAL

9

GLU

VAL

LEU

VAL

GLU

TYR

PRO

PHE

VAL

10

PHE

GLY

GLN

GLY

TRP

SER

CYS

PRO

11

GLU

ARG

THR

SER

GLN

LEU

PHE

ASP

LEU

PRO

12

CYS

SER

LYS

LEU

SER

VAL

GLY

ASP

VAL

CYS

13

ILE

SER

LEU

THR

LEU

LYS

Samples:

sample_1: Ataxin-1 AXH domain, [U-100% 13C; U-100% 15N], 0.5 mM; CIC polypeptide 0.6 mM; H2O 90 mM; D2O 10 mM

sample_2: Ataxin-1 AXH domain, [U-100% 15N], 0.5 mM; CIC polypeptide 0.6 mM; H2O 90 mM; D2O 10 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D 15N-13C-filtered, 15N-13C-edited NOESY	sample_1	isotropic	sample_conditions_1
2D 15N-13C-rejected NOESY	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

ARIA v2.3, Linge, O'Donoghue and Nilges - automated NOEs assignment, refinement, structure solution

XEASY, Bartels et al. - data analysis, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Varian INOVA 800 MHz
Bruker Avance 700 MHz
Bruker Avance 600 MHz
Varian INOVA 600 MHz

UNP	Q96RK0 P54253
PDB	2M41 4J2J 4J2L 1OA8 2M41 4APT 4AQP 4J2L
DBJ	BAE27813 BAE27978 BAI45609 BAP18650 BAC33290
GB	AAI40444 AAI52805 AAK73515 AAK73516 ABD61704 AAH58178 AAI17126 ADR83271 AIC49678 EAW55372
REF	NP_001289740 NP_001291744 NP_055940 NP_082158 XP_001153776 NP_000323 NP_001121636 NP_001186233 NP_033150 NP_036858
SP	Q924A2 Q96RK0 P54253 P54254 Q63540
EMBL	CAA55793 CAA58533 CAA62822
PRF	2210312A
AlphaFold	Q9Y6T1 Q924A2 Q96RK0 Q9Y4J1 P54253 P54254 Q63540