BMRB Entry 16594

Name: Solution structure of DnaK suppressor protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888
Published: 2009-11-24

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PDB ID: 2kq9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16594
MolProbity Validation Chart

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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:

Solution structure of DnaK suppressor protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888

Deposition date:

2009-11-02

Original release date:

2009-11-24

Authors:

Wu, Bin; Yee, Adelinda; Fares, Christopher; Lemak, Alexander; Semest, Anthony; Arrowsmith, Cheryl

Citation:

Citation: Wu, Bin; Yee, Adelinda; Fares, Christopher; Lemak, Alexander; Semest, Anthony; Arrowsmith, Cheryl. "Solution Structure of DnaK protein from Agrobacterium tumefaciens C58. Northeast Structural Genomics Consortium target AtT12/Ontario Center for Structural Proteomics Target atc0888" .

Assembly members:

Assembly members:
atc0888, polymer, 112 residues, 12636.203 Da.
ZN, non-polymer, 65.409 Da.

Natural source:

Natural source: Common Name: Agrobacterium tumefaciens C58 Taxonomy ID: 176299 Superkingdom: Bacteria Kingdom: not available Genus/species: Agrobacterium not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p15Tvlic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
atc0888: LAGGKSMNVESYEKILRDRQ RELYRRLHKIEADFEEPRNP DDEDRASERSNDEVLDELGQ VGQDELRAIDAALARIASGT FGTCVKCGKRISEDRLKAVP YTPFCQECAAAL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	457
15N chemical shifts	110
1H chemical shifts	753

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	atc0888	1
2	Zinc ion	2

Entities:

Entity 1, atc0888 112 residues - 12636.203 Da.

1

LEU

ALA

GLY

LYS

SER

MET

ASN

VAL

GLU

2

SER

TYR

GLU

LYS

ILE

LEU

ARG

ASP

ARG

GLN

3

ARG

GLU

LEU

TYR

ARG

LEU

HIS

LYS

ILE

4

GLU

ALA

ASP

PHE

GLU

PRO

ARG

ASN

PRO

5

ASP

GLU

ASP

ARG

ALA

SER

GLU

ARG

SER

6

ASN

ASP

GLU

VAL

LEU

ASP

GLU

LEU

GLY

GLN

7

VAL

GLY

GLN

ASP

GLU

LEU

ARG

ALA

ILE

ASP

8

ALA

LEU

ALA

ARG

ILE

ALA

SER

GLY

THR

9

PHE

GLY

THR

CYS

VAL

LYS

CYS

GLY

LYS

ARG

10

ILE

SER

GLU

ASP

ARG

LEU

LYS

ALA

VAL

PRO

11

TYR

THR

PRO

PHE

CYS

GLN

GLU

CYS

ALA

12

ALA

LEU

Entity 2, Zinc ion - Zn - 65.409 Da.

1

ZN

Samples:

sample_2: atc0888, [U-7% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_1: atc0888, [U-100% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; zinc sulphate 10 uM; DTT, [U-100% 2H], 10 mM; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 300 mM; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	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 CCH-TOCSY	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 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1

Software:

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDDGUI v1.0, Gutmanas Arrowsmith - processing

SPARKY v3.95, Goddard - data analysis, peak picking

FAWN v1.0, Lemak and Arrowsmith - chemical shift assignment

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

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment

PSVS, Bhattacharya and Montelione - NMR structure quality assessment

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 800 MHz

PDB	2KQ9
GB	AAL41919 EGL61749 EHH03169 EMS97089 EPR08161
REF	NP_528818 WP_003509276 WP_003522285 WP_006316614 WP_010971243