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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/BMR17150
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Yang, Fan; Barnwal, Ravi; Varani, Gabriele. "Solution Structure of cellobiose-specific phosphotransferase IIB component protein from Borrelia burgdorferi" .
Assembly members:
phosphotransferase_IIB, polymer, 109 residues, 11981.025 Da.
Natural source: Common Name: spirochetes Taxonomy ID: 139 Superkingdom: Bacteria Kingdom: not available Genus/species: Borrelia burgdorferi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: Ava Vector
Entity Sequences (FASTA):
phosphotransferase_IIB: GPGSMNILLVCGAGMSTSML
VQRIEKYAKSKNINATIEAI
AETRLSEVVDRFDVVLLAPQ
SRFNKKRLEEITKPKGIPIE
IINTIDYGTMNGEKVLQLAI
NAFNNKSSV
Data type | Count |
13C chemical shifts | 419 |
15N chemical shifts | 109 |
1H chemical shifts | 705 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | phosphotransferase_IIB | 1 |
Entity 1, phosphotransferase_IIB 109 residues - 11981.025 Da.
1 | GLY | PRO | GLY | SER | MET | ASN | ILE | LEU | LEU | VAL | ||||
2 | CYS | GLY | ALA | GLY | MET | SER | THR | SER | MET | LEU | ||||
3 | VAL | GLN | ARG | ILE | GLU | LYS | TYR | ALA | LYS | SER | ||||
4 | LYS | ASN | ILE | ASN | ALA | THR | ILE | GLU | ALA | ILE | ||||
5 | ALA | GLU | THR | ARG | LEU | SER | GLU | VAL | VAL | ASP | ||||
6 | ARG | PHE | ASP | VAL | VAL | LEU | LEU | ALA | PRO | GLN | ||||
7 | SER | ARG | PHE | ASN | LYS | LYS | ARG | LEU | GLU | GLU | ||||
8 | ILE | THR | LYS | PRO | LYS | GLY | ILE | PRO | ILE | GLU | ||||
9 | ILE | ILE | ASN | THR | ILE | ASP | TYR | GLY | THR | MET | ||||
10 | ASN | GLY | GLU | LYS | VAL | LEU | GLN | LEU | ALA | ILE | ||||
11 | ASN | ALA | PHE | ASN | ASN | LYS | SER | SER | VAL |
sample_1: phosphotransferase_IIB, [U-95% 15N], 1.2 mM; potassium phosphate 20 mM; potassium chloride 100 mM; DTT 1 mM; H2O 90%; D2O 10%
sample_2: phosphotransferase_IIB, [U-95% 13C; U-95% 15N], 1.2 mM; potassium phosphate 20 mM; potassium chloride 100 mM; DTT 1 mM; H2O 90%; D2O 10%
sample_3: phosphotransferase_IIB 1.1 mM; potassium phosphate 20 mM; potassium chloride 100 mM; DTT 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_1 |
2D 1H-1H TOCSY | sample_3 | 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 HNHA | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure solution
Molmol, Koradi, Billeter and Wuthrich - structure display
TOPSPIN, Bruker Biospin - collection
CcpNMR, CCPN - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SANE, Duggan, Legge, Dyson & Wright - data analysis
PDB | |
GB | AAC66322 AAD01257 ACK75410 ACL34270 ACM10275 |
REF | NP_046992 WP_010258206 WP_010890589 WP_012593119 WP_012622040 |
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