BMRB Entry 18263

Name: Solution NMR of the specialized apo-acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
Published: 2012-03-19

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PDB ID: 2lpk
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/BMR18263
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:

Solution NMR of the specialized apo-acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324

Deposition date:

2012-02-14

Original release date:

2012-03-19

Authors:

Ramelot, Theresa; Rossi, Paolo; Yang, Yunhuang; Lee, Hsiau-Wei; Ertekin, Asli; Wang, Huang; Ciccosanti, Colleen; Kohan, Eitan; Maglaqui, Melissa; Janjua, Haleema; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Prestegard, James; Montelione, Gaetano; Kennedy, Michael

Citation:

Citation: Ramelot, Theresa; Rossi, Paolo; Forouhar, Farhad; Lee, Hsiau-Wei; Yang, Yunhuang; Ni, Shuisong; Unser, Sarah; Lew, Scott; Seetharaman, Jayararaman; Xiao, Rong; Acton, Thomas; Everett, John; Prestegard, James; Hunt, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of the specialized apo-acyl carrier protein RPA2022 from Rhodopseudomonas palustris refined with NH RDCs. Northeast Structural Genomics Consortium Target RpR324." .

Assembly members:

Assembly members:
entity, 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: pET21_NESG

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- Nnoesy
- Cnoesy_aliph.list

Data type	Count
13C chemical shifts	436
15N chemical shifts	102
1H chemical shifts	690

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	RPA2022	1

Entities:

Entity 1, RPA2022 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:

NC_sample: protein, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; MES 20 ± 1 mM; sodium chloride 200 ± 5 mM; calcium chloride 5 ± 0.25 mM; sodium azide 0.02 ± 0.001 %; DTT 10 ± 0.5 mM; DSS 5 ± .25 uM; H2O 90%; D2O 10%

NC_sample_in_D2O: protein, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; MES 20 ± 1 mM; sodium chloride 200 ± 5 mM; calcium chloride 5 ± 0.25 mM; sodium azide 0.02 ± 0.001 %; DTT 10 ± 0.5 mM; DSS 5 ± .25 uM; D2O 100%

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

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	NC_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC	NC_sample_in_D2O	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
3D 1H-13C NOESY_arom	NC_sample	isotropic	sample_conditions_1
2D 1H-15N hetNOE	NC_sample	isotropic	sample_conditions_1
2D 1H-15N T1	NC_sample	isotropic	sample_conditions_1
2D 1H-15N T2	NC_sample	isotropic	sample_conditions_1
1D 15N T1	NC_sample	isotropic	sample_conditions_1
1D 15N T2	NC_sample	isotropic	sample_conditions_1

Software:

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

VNMR v6.1C, Varian - collection

TOPSPIN v2.1.4, Bruker Biospin - collection

CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

SPARKY v3.113, Goddard - data analysis

PSVS v1.4, Bhattacharya and Montelione - refinement

PDBStat v5.4, (PdbStat)-Roberto Tejero and Gaetano T. Montelione - structure solution

CYANA_3.0 v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

FMCGUI, Alex Lemak, University of Toronto - refinement

PALES vpales_linux, Zweckstetter - refinement

NMR spectrometers:

Varian INOVA 600 MHz
Bruker AvanceIII 850 MHz
Bruker AvanceIII 600 MHz

BMRB	16805 18032
PDB	2KW2 2LL8 2LPK 3LMO
EMBL	CAE27463
GB	ABD08049 ABE39325 ACF00754 ADU45059 KPF96758
REF	WP_011157577 WP_011442233 WP_054163491