BMRB Entry 16805

Name: Solution NMR of the specialized acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
Published: 2010-04-28

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PDB ID: 2kw2
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16805
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 NMR of the specialized acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324

Deposition date:

2010-03-30

Original release date:

2010-04-28

Authors:

Rossi, P.; Lee, H; Valafar, H.; Lemak, A.; Wang, H.; Ciccosanti, C.; Mao, L.; Rost, B.; Acton, T.; Xiao, R.; Everett, J.; Montelione, G.

Citation:

Citation: Rossi, Paolo; Lee, Hsiau-Wei; Valafar, Homayoun; Acton, T.; Xiao, R.; Everett, J.; Montelione, G.. "Solution NMR of the specialized acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324" To be published ., .-..

Assembly members:

Assembly members:
RpR324, polymer, 101 residues, 11309.831 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: BL21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RpR324: MTSTFDRVATIIAETCDIPR ETITPESHAIDDLGIDSLDF LDIAFAIDKAFGIKLPLEKW TQEVNDGKATTEQYFVLKNL AARIDELVAAKGALEHHHHH H

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	428
15N chemical shifts	99
1H chemical shifts	683

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RpR324	1

Entities:

Entity 1, RpR324 101 residues - 11309.831 Da.

1

MET

THR

SER

THR

PHE

ASP

ARG

VAL

ALA

THR

2

ILE

ALA

GLU

THR

CYS

ASP

ILE

PRO

ARG

3

GLU

THR

ILE

THR

PRO

GLU

SER

HIS

ALA

ILE

4

ASP

LEU

GLY

ILE

ASP

SER

LEU

ASP

PHE

5

LEU

ASP

ILE

ALA

PHE

ALA

ILE

ASP

LYS

ALA

6

PHE

GLY

ILE

LYS

LEU

PRO

LEU

GLU

LYS

TRP

7

THR

GLN

GLU

VAL

ASN

ASP

GLY

LYS

ALA

THR

8

THR

GLU

GLN

TYR

PHE

VAL

LEU

LYS

ASN

LEU

9

ALA

ARG

ILE

ASP

GLU

LEU

VAL

ALA

10

LYS

GLY

ALA

LEU

GLU

HIS

11

HIS

Samples:

sample: RpR324, [U-100% 13C; U-100% 15N], 1.1 mM; sodium chloride 0.2 M; DTT 10 mM; DSS 5 uM; sodium azide 0.02%; MES 20 mM; calcium chloride 5 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample	isotropic	sample_conditions_1
3D HNCO	sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample	isotropic	sample_conditions_1
3D HNCACB	sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample	isotropic	sample_conditions_1
3D HCCH-COSY	sample	isotropic	sample_conditions_1
3D CCH-TOCSY	sample	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample	anisotropic	sample_conditions_1
3D HNCO	sample	anisotropic	sample_conditions_1
15N T1	sample	isotropic	sample_conditions_1
15N T2 CPMG	sample	isotropic	sample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinemen, structure solution

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

TOPSPIN, Bruker Biospin - collection

VNMRJ, Varian - collection

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

SPARKY, Goddard - data analysis

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PALES, PALES (Zweckstetter, Bax) - geometry optimization

REDCAT, Valafar, Prestegard - geometry optimization

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinemen, structure solution

NMR spectrometers:

Bruker Avance 600 MHz
Varian INOVA 600 MHz

BMRB	18032 18263
PDB	2KW2 2LL8 2LPK 3LMO
EMBL	CAE27463
GB	ABD08049 ABE39325 ACF00754 ADU45059 KPF96758
REF	WP_011157577 WP_011442233 WP_054163491