BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18263

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

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: 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."  Not known ., .-..

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

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

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

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

Data sets:
Data typeCount
13C chemical shifts436
15N chemical shifts102
1H chemical shifts690

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1RPA20221

Entities:

Entity 1, RPA2022 101 residues - 11309.831 Da.

1   METTHRSERTHRPHEASPARGVALALATHR
2   ILEILEALAGLUTHRCYSASPILEPROARG
3   GLUTHRILETHRPROGLUSERHISALAILE
4   ASPASPLEUGLYILEASPSERLEUASPPHE
5   LEUASPILEALAPHEALAILEASPLYSALA
6   PHEGLYILELYSLEUPROLEUGLULYSTRP
7   THRGLNGLUVALASNASPGLYLYSALATHR
8   THRGLUGLNTYRPHEVALLEULYSASNLEU
9   ALAALAARGILEASPGLULEUVALALAALA
10   LYSGLYALALEUGLUHISHISHISHISHIS
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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC aliphaticNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC aromaticNC_sampleisotropicsample_conditions_1
2D 1H-15N HSQCNC_sample_in_D2Oisotropicsample_conditions_1
3D 1H-15N NOESYNC_sampleisotropicsample_conditions_1
3D 1H-13C NOESY_aliphNC_sampleisotropicsample_conditions_1
3D 1H-13C NOESY_aromNC_sampleisotropicsample_conditions_1
2D 1H-15N hetNOENC_sampleisotropicsample_conditions_1
2D 1H-15N T1NC_sampleisotropicsample_conditions_1
2D 1H-15N T2NC_sampleisotropicsample_conditions_1
1D 15N T1NC_sampleisotropicsample_conditions_1
1D 15N T2NC_sampleisotropicsample_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

Related Database Links:

BMRB 16805 18032
PDB
EMBL CAE27463
GB ABD08049 ABE39325 ACF00754 ADU45059 KPF96758
REF WP_011157577 WP_011442233 WP_054163491