BMRB Entry 52908
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52908
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NMR-STAR v3 text file.
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Citation: Lesovoy, Dmitri; Roshchin, Konstantin; Sala, Benedetta; Sandalova, Tatyana; Achour, Adnane; Agback, Tatiana; Orekhov, Vladislav; Agback, Peter. "Accurate Protein Dynamic Conformational Ensembles: Combining AlphaFold, MD and Amide 15N(1H) NMR Relaxation." .
Assembly members:
entity_1, polymer, 295 residues, Formula weight is not available
Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28
Entity Sequences (FASTA):
entity_1: GQVEVFNGQDTRDGVNILIM
GTDGRIGQNSVETRTDSIMV
LNVGGSDKKMKLVSFMRDNL
VYIDGYSQVINGRKQTDNKL
NVAYELGEQEGQKGAEMVRQ
VLKDNFDLDIKYYALVDFQA
FATAIDTLFPDGVTIDAQFS
TLNGRPLTEATVGDDLYATE
TESPTQTIKVGKQQMNGSTL
LNYARFRDDDEADYGRTKRQ
QQVLTAILEQIKDPTKLFTG
SEALGKVFAMTSTNVPYTFL
LTNGLSVLDGAKNGIEKLTI
PELGDWVDAYDVYGGLGLLV
DQNKYQTKLAQMGLR
- heteronucl_NOEs
- heteronucl_T1_relaxation
- order_parameters
| Data type | Count |
| T1 relaxation values | 511 |
| heteronuclear NOE values | 511 |
| order parameters | 289 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SPR1226 | 1 |
Entities:
Entity 1, SPR1226 295 residues - Formula weight is not available
| 1 | GLY | GLN | VAL | GLU | VAL | PHE | ASN | GLY | GLN | ASP | ||||
| 2 | THR | ARG | ASP | GLY | VAL | ASN | ILE | LEU | ILE | MET | ||||
| 3 | GLY | THR | ASP | GLY | ARG | ILE | GLY | GLN | ASN | SER | ||||
| 4 | VAL | GLU | THR | ARG | THR | ASP | SER | ILE | MET | VAL | ||||
| 5 | LEU | ASN | VAL | GLY | GLY | SER | ASP | LYS | LYS | MET | ||||
| 6 | LYS | LEU | VAL | SER | PHE | MET | ARG | ASP | ASN | LEU | ||||
| 7 | VAL | TYR | ILE | ASP | GLY | TYR | SER | GLN | VAL | ILE | ||||
| 8 | ASN | GLY | ARG | LYS | GLN | THR | ASP | ASN | LYS | LEU | ||||
| 9 | ASN | VAL | ALA | TYR | GLU | LEU | GLY | GLU | GLN | GLU | ||||
| 10 | GLY | GLN | LYS | GLY | ALA | GLU | MET | VAL | ARG | GLN | ||||
| 11 | VAL | LEU | LYS | ASP | ASN | PHE | ASP | LEU | ASP | ILE | ||||
| 12 | LYS | TYR | TYR | ALA | LEU | VAL | ASP | PHE | GLN | ALA | ||||
| 13 | PHE | ALA | THR | ALA | ILE | ASP | THR | LEU | PHE | PRO | ||||
| 14 | ASP | GLY | VAL | THR | ILE | ASP | ALA | GLN | PHE | SER | ||||
| 15 | THR | LEU | ASN | GLY | ARG | PRO | LEU | THR | GLU | ALA | ||||
| 16 | THR | VAL | GLY | ASP | ASP | LEU | TYR | ALA | THR | GLU | ||||
| 17 | THR | GLU | SER | PRO | THR | GLN | THR | ILE | LYS | VAL | ||||
| 18 | GLY | LYS | GLN | GLN | MET | ASN | GLY | SER | THR | LEU | ||||
| 19 | LEU | ASN | TYR | ALA | ARG | PHE | ARG | ASP | ASP | ASP | ||||
| 20 | GLU | ALA | ASP | TYR | GLY | ARG | THR | LYS | ARG | GLN | ||||
| 21 | GLN | GLN | VAL | LEU | THR | ALA | ILE | LEU | GLU | GLN | ||||
| 22 | ILE | LYS | ASP | PRO | THR | LYS | LEU | PHE | THR | GLY | ||||
| 23 | SER | GLU | ALA | LEU | GLY | LYS | VAL | PHE | ALA | MET | ||||
| 24 | THR | SER | THR | ASN | VAL | PRO | TYR | THR | PHE | LEU | ||||
| 25 | LEU | THR | ASN | GLY | LEU | SER | VAL | LEU | ASP | GLY | ||||
| 26 | ALA | LYS | ASN | GLY | ILE | GLU | LYS | LEU | THR | ILE | ||||
| 27 | PRO | GLU | LEU | GLY | ASP | TRP | VAL | ASP | ALA | TYR | ||||
| 28 | ASP | VAL | TYR | GLY | GLY | LEU | GLY | LEU | LEU | VAL | ||||
| 29 | ASP | GLN | ASN | LYS | TYR | GLN | THR | LYS | LEU | ALA | ||||
| 30 | GLN | MET | GLY | LEU | ARG |