BMRB Entry 36011
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR36011
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Title: Solution structure of SUMO from Plasmodium falciparum PubMed: 27699617
Deposition date: 2016-06-30 Original release date: 2017-03-16
Authors: Singh, J.; Shukla, V.; Gujrati, M.; Mishra, R.; Kumar, A.
Citation: Singh, Jai Shankar; Shukla, Vaibhav Kumar; Gujrati, Mansi; Mishra, Ram Kumar; Kumar, Ashutosh. "Backbone and side-chain resonance assignments of Plasmodium falciparum SUMO" Biomol NMR Assign 11, 17-20 (2017).
Assembly members:
PfSUMO, polymer, 98 residues, 10838.997 Da.
Natural source: Common Name: not available Taxonomy ID: 57267 Superkingdom: Eukaryota Kingdom: not available Genus/species: Plasmodium Plasmodium falciparum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PfSUMO: MGDDDSAVNNNGSSPVNNQG
EHIQVKVRSPDGAEVFFKIK
RKTKLEKLMEVYCNRLGQSM
EAVRFLYDGDRIHGDNTPEQ
LGIEDGDVIDAMVQQTGG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 355 |
| 15N chemical shifts | 93 |
| 1H chemical shifts | 556 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 98 residues - 10838.997 Da.
| 1 | MET | GLY | ASP | ASP | ASP | SER | ALA | VAL | ASN | ASN | ||||
| 2 | ASN | GLY | SER | SER | PRO | VAL | ASN | ASN | GLN | GLY | ||||
| 3 | GLU | HIS | ILE | GLN | VAL | LYS | VAL | ARG | SER | PRO | ||||
| 4 | ASP | GLY | ALA | GLU | VAL | PHE | PHE | LYS | ILE | LYS | ||||
| 5 | ARG | LYS | THR | LYS | LEU | GLU | LYS | LEU | MET | GLU | ||||
| 6 | VAL | TYR | CYS | ASN | ARG | LEU | GLY | GLN | SER | MET | ||||
| 7 | GLU | ALA | VAL | ARG | PHE | LEU | TYR | ASP | GLY | ASP | ||||
| 8 | ARG | ILE | HIS | GLY | ASP | ASN | THR | PRO | GLU | GLN | ||||
| 9 | LEU | GLY | ILE | GLU | ASP | GLY | ASP | VAL | ILE | ASP | ||||
| 10 | ALA | MET | VAL | GLN | GLN | THR | GLY | GLY |
Samples:
sample_1: PfSUMO, [U-100% 15N], 1 mM; TRIS 20 mM; sodium chloride 50 mM; H2O 90%; D2O, [U-2H], 10%
sample_2: PfSUMO, [U-100% 13C; U-100% 15N], 1 mM; TRIS 20 mM; sodium chloride 50 mM; H2O 90%; D2O, [U-2H], 10%
sample_3: PfSUMO, [U-100% 13C; U-100% 15N], 1 mM; TRIS 20 mM; sodium chloride 50 mM; D2O, [U-2H], 100%
sample_conditions_1: ionic strength: 50 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCcoNH | sample_2 | isotropic | sample_conditions_1 |
| 3D CCcoNH | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
CARA, Keller and Wuthrich - chemical shift assignment, peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CcpNMR, CCPN - chemical shift assignment
NMR spectrometers:
- Bruker ASCEND 750 MHz
- Bruker Avance 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts