BMRB Entry 16186

Name: Solution NMR structure of PSPTO_3016 from Pseudomonas syringae. Northeast Structural Genomics Consortium target PsR293.
Published: 2009-03-05

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PDB ID: 2kfp
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16186
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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 NMR structure of PSPTO_3016 from Pseudomonas syringae. Northeast Structural Genomics Consortium target PsR293.

Deposition date:

2009-02-24

Original release date:

2009-03-05

Authors:

Feldmann, Erik; Ramelot, Theresa; Zhao, Li; Hamilton, Keith; Ciccosanti, Colleen; Xiao, Rong; Nair, Rajesh; Everett, John; Swapna, G.V.T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael

Citation:

Citation: Feldmann, Erik; Ramelot, Theresa; Zhao, Li; Hamilton, Keith; Ciccosanti, Colleen; Xiao, Rong; Nair, Rajesh; Everett, John; Swapna, G.V.T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of PSPTO_3016 from Pseudomonas syringae. Northeast Structural Genomics Consortium target PsR293." .

Assembly members:

Assembly members:
PSPTO_3016, polymer, 125 residues, 14802 Da.

Natural source:

Natural source: Common Name: Pseudomonas syringae Taxonomy ID: 317 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas syringae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PSPTO_3016: MNRQQFIDYAQKKYDTKPDH PWEKFPDYAVFRHSDNDKWY ALLMDIPAEKIGINGDKRVD VIDLKVQPELVGSLRKKPGI YPAYHMNKEHWITVLLNGPL GAKEIHSLIEDSFQLTRLEH HHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	561
15N chemical shifts	124
1H chemical shifts	884

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PSPTO_3016	1

Entities:

Entity 1, PSPTO_3016 125 residues - 14802 Da.

full length followed by 8 non-native C-terminal residues (LEHHHHHH)

1

MET

ASN

ARG

GLN

PHE

ILE

ASP

TYR

ALA

2

GLN

LYS

TYR

ASP

THR

LYS

PRO

ASP

HIS

3

PRO

TRP

GLU

LYS

PHE

PRO

ASP

TYR

ALA

VAL

4

PHE

ARG

HIS

SER

ASP

ASN

ASP

LYS

TRP

TYR

5

ALA

LEU

MET

ASP

ILE

PRO

ALA

GLU

LYS

6

ILE

GLY

ILE

ASN

GLY

ASP

LYS

ARG

VAL

ASP

7

VAL

ILE

ASP

LEU

LYS

VAL

GLN

PRO

GLU

LEU

8

VAL

GLY

SER

LEU

ARG

LYS

PRO

GLY

ILE

9

TYR

PRO

ALA

TYR

HIS

MET

ASN

LYS

GLU

HIS

10

TRP

ILE

THR

VAL

LEU

ASN

GLY

PRO

LEU

11

GLY

ALA

LYS

GLU

ILE

HIS

SER

LEU

ILE

GLU

12

ASP

SER

PHE

GLN

LEU

THR

ARG

LEU

GLU

HIS

13

HIS

Samples:

NC_sample: entity, [U-100% 13C; U-100% 15N], 1.1 ± 0.1 mM; ammonium acetate 20 ± 0.1 mM; sodium chloride 100 ± 5 mM; DTT 10 ± 0.5 mM; calcium chloride 5 ± 0.2 mM; sodium azide 0.02 ± 0.001 %; DSS 50 ± 2.5 uM; H2O 90%; D2O 10%

NC5_sample: entity, [U-5% 13C; U-100% 15N], 1.1 ± 0.1 mM; ammonium acetate 20 ± 0.1 mM; sodium chloride 100 ± 5 mM; DTT 10 ± 0.5 mM; calcium chloride 5 ± 0.2 mM; sodium azide 0.02 ± 0.001 %; DSS 50 ± 2.5 uM; H2O 90%; D2O 10%

NC_sample_in_D2O: entity, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; ammonium acetate 20 ± 0.1 mM; sodium chloride 100 ± 5 mM; DTT 10 ± 0.5 mM; calcium chloride 5 ± 0.2 mM; sodium azide 0.02 ± 0.001 %; DSS 50 ± 2.5 uM; D2O 100%

sample_conditions_1: ionic strength: 0.1 M; pH: 4.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC5_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC (swN)	NC_sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	NC_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY (aliph)	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	NC_sample	isotropic	sample_conditions_1
4D CC NOESY	NC_sample_in_D2O	isotropic	sample_conditions_1
3D HNCO	NC_sample	isotropic	sample_conditions_1
3D HNCA	NC_sample	isotropic	sample_conditions_1
3D HNCACB	NC_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HBHA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D H(C)CH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D H(CCO)NH	NC_sample	isotropic	sample_conditions_1
3D HN(CO)CA	NC_sample	isotropic	sample_conditions_1
3D C(CO)NH	NC_sample	isotropic	sample_conditions_1
3D H(C)CH COSY	NC_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC (NH2 only)	NC_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY (arom)	NC_sample	isotropic	sample_conditions_1

Software:

NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR v6.1C, Varian - collection

TOPSPIN v2.1.3, Bruker Biospin - collection

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - data analysis

X-PLOR NIH v2.20, Schwieters, Kuszewski, Tjandra and Clore - structure solution

SPARKY v3.113, Goddard - data analysis

PSVS v1.3, Bhattacharya and Montelione - structure solution

AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

Varian INOVA 600 MHz
Bruker AvanceIII 850 MHz

PDB	2KFP 3H9X
GB	AAO56506 EEB58193 EGH95472 KGK93803 KKI26969
REF	NP_792811 WP_007246459 WP_011104332 WP_044389995 WP_057415793