BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 16805

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

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: 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:
RpR324, 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):
RpR324: MTSTFDRVATIIAETCDIPR ETITPESHAIDDLGIDSLDF LDIAFAIDKAFGIKLPLEKW TQEVNDGKATTEQYFVLKNL AARIDELVAAKGALEHHHHH H

Data typeCount
13C chemical shifts428
15N chemical shifts99
1H chemical shifts683

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1RpR3241

Entities:

Entity 1, RpR324 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:

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsampleisotropicsample_conditions_1
2D 1H-13C HSQCsampleisotropicsample_conditions_1
3D HNCOsampleisotropicsample_conditions_1
3D CBCA(CO)NHsampleisotropicsample_conditions_1
3D HNCACBsampleisotropicsample_conditions_1
3D 1H-15N NOESYsampleisotropicsample_conditions_1
3D 1H-13C NOESYsampleisotropicsample_conditions_1
3D HBHA(CO)NHsampleisotropicsample_conditions_1
3D HCCH-TOCSYsampleisotropicsample_conditions_1
3D HCCH-COSYsampleisotropicsample_conditions_1
3D CCH-TOCSYsampleisotropicsample_conditions_1
2D 1H-15N HSQCsampleanisotropicsample_conditions_1
3D HNCOsampleanisotropicsample_conditions_1
15N T1sampleisotropicsample_conditions_1
15N T2 CPMGsampleisotropicsample_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

Related Database Links:

BMRB 18032 18263
PDB
EMBL CAE27463
GB ABD08049 ABE39325 ACF00754 ADU45059 KPF96758
REF WP_011157577 WP_011442233 WP_054163491