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 18210

Title: Structure of the Plasmodium 6-cysteine s48/45 Domain   PubMed: 22493233

Deposition date: 2012-01-23 Original release date: 2012-05-08

Authors: Cai, Mengli; Arredondo, Silvia A.; Clore, Marius; Miller, Louis; Takayama, Yuki; Macdonald, Nicholas; Enderson, Eric; Aravind, L.

Citation: Arredondo, Silvia; Cai, Mengli; Takayama, Yuki; Macdonald, Nicholas; Anderson, D. Eric; Aravind, L.; Clore, G. Marius; Miller, Louis. "Structure of the Plasmodium 6-cysteine s48/45 domain."  Proc. Natl. Acad. Sci. U.S.A. 109, 6692-6697 (2012).

Assembly members:
entity, polymer, 128 residues, 14553.378 Da.

Natural source:   Common Name: Malaria parasite   Taxonomy ID: 5833   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Plasmodium falciparum

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

Entity Sequences (FASTA):
entity: EKVKGCDFTTSESTIFSKGY SINEISNKSSNNQQDIVCTV KAHANDLIGFKCPSNYSVEP HDCFVSAFNLSGKNENLENK LKLTNIIMDHYNNTFYSRLP SLISDNWKFFCVCSKDNEKK LVFTVEAX

Data sets:
Data typeCount
13C chemical shifts573
15N chemical shifts96
1H chemical shifts791

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1pf12 C terminal domain1

Entities:

Entity 1, pf12 C terminal domain 128 residues - 14553.378 Da.

1   GLULYSVALLYSGLYCYSASPPHETHRTHR
2   SERGLUSERTHRILEPHESERLYSGLYTYR
3   SERILEASNGLUILESERASNLYSSERSER
4   ASNASNGLNGLNASPILEVALCYSTHRVAL
5   LYSALAHISALAASNASPLEUILEGLYPHE
6   LYSCYSPROSERASNTYRSERVALGLUPRO
7   HISASPCYSPHEVALSERALAPHEASNLEU
8   SERGLYLYSASNGLUASNLEUGLUASNLYS
9   LEULYSLEUTHRASNILEILEMETASPHIS
10   TYRASNASNTHRPHETYRSERARGLEUPRO
11   SERLEUILESERASPASNTRPLYSPHEPHE
12   CYSVALCYSSERLYSASPASNGLULYSLYS
13   LEUVALPHETHRVALGLUALAANI

Samples:

sample_1: Pf1 phage, [U-99% 13C; U-99% 15N], 0.4 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1

Software:

PIPP, Garrett - chemical shift assignment

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

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

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz

Related Database Links:

PDB
EMBL CAG25366
GB AAA29649 AAF59950 ACR09927 ACR09928 ACR09929
REF XP_966114
SP C6KSX0 P19259

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts