BMRB Entry 16377

Name: RpR325/RPA3574 from Rhodopseudomonas palustris
Published: 2009-08-06

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PDB ID: 2lek
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16377
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:

RpR325/RPA3574 from Rhodopseudomonas palustris

Deposition date:

2009-06-29

Original release date:

2009-08-06

Authors:

Kennedy, Michael; Ramelot, Theresa; Wang, Huang; Ciccosanti, Colleen; Jang, Mei; Nair, R; Rost, Burkhardt; Swapna, G.V.T.; Acton, Tom; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael

Citation:

Citation: Kennedy, Michael; Ramelot, Theresa; Wang, Huang; Ciccosanti, Colleen; Jang, Mei; Nair, R; Rost, Burkhardt; Swapna, G.V.T.; Acton, Tom; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael. "RpR325/RPA3574 from Rhodopseudomonas palustris" .

Assembly members:

Assembly members:
RPA3574, polymer, 73 residues, 13648.825 Da.

Natural source:

Natural source: Common Name: Rhodopseudomonas palustris Taxonomy ID: 1076 Superkingdom: Bacteria Kingdom: not available Genus/species: Rhodopseudomonas palustrisa

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET 21-23C

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RPA3574: MLVTINGEQREVQSASVAAL MTELDCTDGHYAVALNYDVV PRGKWDETPVTAGDEIEILT PRQGGLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	287
15N chemical shifts	72
1H chemical shifts	471

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RPA3574	1

Entities:

Entity 1, RPA3574 73 residues - 13648.825 Da.

65 + 8 residues for his tag = 73 residues

1

MET

LEU

VAL

THR

ILE

ASN

GLY

GLU

GLN

ARG

2

GLU

VAL

GLN

SER

ALA

SER

VAL

ALA

LEU

3

MET

THR

GLU

LEU

ASP

CYS

THR

ASP

GLY

HIS

4

TYR

ALA

VAL

ALA

LEU

ASN

TYR

ASP

VAL

5

PRO

ARG

GLY

LYS

TRP

ASP

GLU

THR

PRO

VAL

6

THR

ALA

GLY

ASP

GLU

ILE

GLU

ILE

LEU

THR

7

PRO

ARG

GLN

GLY

LEU

GLU

HIS

8

HIS

Samples:

NC_sample: RPA3574, [U-100% 13C; U-100% 15N], 0.92 mM; MES 20 mM; potassium chloride 200 mM

NC5_sample: RPA3574, [U-5% 13C; U-99% 15N], 0.85 mM; MES 20 mM; potassium chloride 200 mM

sample_conditions_1: ionic strength: .2 M; pH: 6.5; pressure: 1.0 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
3D CBCA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D C(CO)NH	NC_sample	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 HBHA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D H(CCO)NH	NC_sample	isotropic	sample_conditions_1
3D HCCH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	NC_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY	NC_sample	isotropic	sample_conditions_1

Software:

AutoAssign v2.3, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

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 - structure solution

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

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

SPARKY v3.113, Goddard - data analysis

PSVS, Bhattacharya and Montelione - structure solution

PDBStat v5.1, Roberto Tejero and Gaetano T. Montelione - structure solution

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Varian INOVA 600 MHz
Bruker Avance 850 MHz
Varian INOVA 500 MHz

SWS	Q6N3W8_RHOPA
PDB	2LEK
EMBL	CAE29015
REF	WP_011159114