BMRB Entry 16355

Name: NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium target AR3449A
Published: 2012-02-22

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PDB ID: 2kk8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16355
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium target AR3449A

Deposition date:

2009-06-16

Original release date:

2012-02-22

Authors:

Mani, Rajeswari; Gurla, Swapna; Shastry, Ritu; Ciccosanti, Colleen; Foote, Erica; Jiang, Mei; Xiao, Rong; Nair, Rajesh; Everett, John; Huang, Yuanpeng; Acton, Tom; Rost, Burkhard; Montelione, Gaetano

Citation:

Citation: Mani, Rajeswari; Gurla, Swapna; Shastry, Ritu; Ciccosanti, Colleen; Foote, Erica; Jiang, Mei; Xiao, Rong; Nair, Rajesh; Everett, John; Huang, Yuanpeng; Acton, Tom; Rost, Burkhard; Montelione, Gaetano. "NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium Target AR3449A" .

Assembly members:

Assembly members:
AR3449A, polymer, 84 residues, 9679.103 Da.

Natural source:

Natural source: Common Name: thale cress Taxonomy ID: 3702 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Arabidopsis thaliana

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET21-23C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AR3449A: MGHHHHHHSHMKFLVENLNG SSFELEVDYRDTLLVVKQKI ERSQHIPVSKQTLIVDGIVI LREDLTVEQCQIVPTSDIQL EVSS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	342
15N chemical shifts	81
1H chemical shifts	552

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	AR3449A	1

Entities:

Entity 1, AR3449A 84 residues - 9679.103 Da.

1-10 residues MGHHHHHHSH is a N-terminal tag

1

MET

GLY

HIS

SER

HIS

2

MET

LYS

PHE

LEU

VAL

GLU

ASN

LEU

ASN

GLY

3

SER

PHE

GLU

LEU

GLU

VAL

ASP

TYR

ARG

4

ASP

THR

LEU

VAL

LYS

GLN

LYS

ILE

5

GLU

ARG

SER

GLN

HIS

ILE

PRO

VAL

SER

LYS

6

GLN

THR

LEU

ILE

VAL

ASP

GLY

ILE

VAL

ILE

7

LEU

ARG

GLU

ASP

LEU

THR

VAL

GLU

GLN

CYS

8

GLN

ILE

VAL

PRO

THR

SER

ASP

ILE

GLN

LEU

9

GLU

VAL

SER

Samples:

sample_1: AR3449A, [U-100% 13C; U-100% 15N], 1.11 mM; H2O 90%; D2O 10%; sodium azide 0.02%; calcium chloride 5 mM; sodium chloride 10 mM; MES 20 mM; DDT 10 mM

sample_2: AR3449A, [U-10% 13C; U-100% 15N], 1.22 mM; H2O 90%; D2O 10%; sodium azide 0.02%; calcium chloride 5 mM; sodium chloride 10 mM; MES 20 mM; DDT 10 mM

sample_conditions_1: ionic strength: . M; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C aliphatic NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C aromatic NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
(4,3)D GFT-HNNCABCA	sample_1	isotropic	sample_conditions_1
(4,3)D GFT-CABCA(CO)NHN	sample_1	isotropic	sample_conditions_1
3D GFT-HNNCABCA	sample_1	isotropic	sample_conditions_1
3D GFT-CABCA(CO)NHN	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1

Software:

CNS v2.0.6, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - structure solution

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz
Varian INOVA 600 MHz
Varian INOVA 500 MHz

PDB	2KK8
EMBL	CAB81069
GB	AEE82498
REF	NP_192436