BMRB Entry 25790

Name: Solution structure of regulatory protein
Published: 2016-07-13

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PDB ID: 2n72
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25790
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: Solution structure of regulatory protein PubMed: 27009356

Deposition date: 2015-09-02 Original release date: 2016-07-13

Authors: Veverka, Vaclav; Hexnerova, Rozalie

Citation: Klima, Martin; Toth, Daniel; Hexnerova, Rozalie; Baumlova, Adriana; Chalupska, Dominika; Tykvart, Jan; Rezabkova, Lenka; Sengupta, Nivedita; Man, Petr; Dubankova, Anna; Humpolickova, Jana; Nencka, Radim; Veverka, Vaclav; Balla, Tamas; Boura, Evzen. "Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein" Sci. Rep. 6, 23641-23641 (2016).

Assembly members:
entity, polymer, 69 residues, 8293.291 Da.

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):
entity: MQQKQQIMAALNSQTAVQFQ QYAAQQYPGNYEQQQILIRQ LQEQHYQQYMQQLYQVQLAQ QQAALQKQQ

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	289
15N chemical shifts	83
1H chemical shifts	508

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 69 residues - 8293.291 Da.

1

MET

GLN

LYS

GLN

ILE

MET

ALA

2

LEU

ASN

SER

GLN

THR

ALA

VAL

GLN

PHE

GLN

3

GLN

TYR

ALA

GLN

TYR

PRO

GLY

ASN

4

TYR

GLU

GLN

ILE

LEU

ILE

ARG

GLN

5

LEU

GLN

GLU

GLN

HIS

TYR

GLN

TYR

MET

6

GLN

LEU

TYR

GLN

VAL

GLN

LEU

ALA

GLN

7

GLN

ALA

LEU

GLN

LYS

GLN

Samples:

sample_1: entity, [U-13C; U-15N], 0.28 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

YASARA, na - refinement

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 850 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts