BMRB Entry 16531
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16531
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Title: Back bone chemical shift assignments of the dodecanoyl-ACP of P. falciparum fatty acid synthesis pathway PubMed: 20182923
Deposition date: 2009-09-30 Original release date: 2010-03-01
Authors: Upadhyay, Santosh Kumar; Misra, Ashish; Srivastava, Richa; Surolia, Namita; Surolia, Avadhesha; Sundd, Monica
Citation: Upadhyay, Santosh Kumar; Misra, Ashish; Surolia, Namita; Surolia, Avadhesha; Sundd, Monica. "Backbone chemical shift assignments of the acyl-acyl carrier protein intermediates of the fatty acid biosynthesis pathway of Plasmodium falciparum." Biomol. NMR Assignments 4, 83-85 (2010).
Assembly members:
acyl_carrier_protein, polymer, 79 residues, Formula weight is not available
phosphopantetheine_attached_to_the_acyl_chain_by_a_thioester_bond, non-polymer, Formula weight is not available
Natural source: Common Name: Malaria Parasite P. falciparum 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):
acyl_carrier_protein: LKSTFDDIKKIISKQLSVEE
DKIQMNSNFTKDLGADSLDL
VELIMALEEKFNVTISDQDA
LKINTVQDAIDYIEKNNKQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 138 |
| 15N chemical shifts | 71 |
| 1H chemical shifts | 71 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | monomer | 1 |
| 2 | ligand | 2 |
Entities:
Entity 1, monomer 79 residues - Formula weight is not available
Residue 1-5 not visible
| 1 | LEU | LYS | SER | THR | PHE | ASP | ASP | ILE | LYS | LYS | ||||
| 2 | ILE | ILE | SER | LYS | GLN | LEU | SER | VAL | GLU | GLU | ||||
| 3 | ASP | LYS | ILE | GLN | MET | ASN | SER | ASN | PHE | THR | ||||
| 4 | LYS | ASP | LEU | GLY | ALA | ASP | SER | LEU | ASP | LEU | ||||
| 5 | VAL | GLU | LEU | ILE | MET | ALA | LEU | GLU | GLU | LYS | ||||
| 6 | PHE | ASN | VAL | THR | ILE | SER | ASP | GLN | ASP | ALA | ||||
| 7 | LEU | LYS | ILE | ASN | THR | VAL | GLN | ASP | ALA | ILE | ||||
| 8 | ASP | TYR | ILE | GLU | LYS | ASN | ASN | LYS | GLN |
Entity 2, ligand - C11 H23 N2 O7 P S - Formula weight is not available
| 1 | PNS-x |
Samples:
sample_1: protein, [U-13C; U-15N], 1 mM; DTT 2.0 mM; sodium chloride 100 mM; sodium phosphate 50 mM; sodium azide 0.5%; D2O 90%; H2O 10%
sample_conditions_1: pH: 6.5; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY v3.113, Goddard - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 500 MHz
Related Database Links:
| BMRB | 16506 16529 16530 16532 16533 16661 |
| PDB | |
| EMBL | CDO62314 |
| GB | AAC63959 AAC71866 ETW20884 ETW27965 ETW39040 |
| REF | XP_001349595 XP_012760964 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts