BMRB Entry 52600
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52600
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Mann, Samuel; Lin, Zhi; Tan, Sophia; Zhu, Jiaqi; Widel, Zachary; Bakanas, Ian; Mansergh, Jarrett; Liu, Rui; Kelly, Mark; Wu, Yibing; Wells, James; Therien, Michael; DeGrado, William. "De Novo Design of Proteins That Bind Naphthalenediimides, Powerful Photooxidants with Tunable Photophysical Properties" J. Am. Chem. Soc. 147, 7849-7858 (2025).
PubMed: 39982408
Assembly members:
entity_1, polymer, 132 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: BL21(DE3)
Entity Sequences (FASTA):
entity_1: HHHHHHENLYFQSSAKQDFA
EGVKLWQENAVLWTRLVQAF
QSGDQSTVDSLLKQLDANAA
RVEQLLQRIISETGDELARK
GESLFQRNQQLFSQLKTLFS
QGDEDTAKAVLEEIQSNLNQ
IQQIITEAQKRL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 451 |
| 15N chemical shifts | 165 |
| 1H chemical shifts | 983 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | protein | 1 |
Entities:
Entity 1, protein 132 residues - Formula weight is not available
| 1 | HIS | HIS | HIS | HIS | HIS | HIS | GLU | ASN | LEU | TYR | ||||
| 2 | PHE | GLN | SER | SER | ALA | LYS | GLN | ASP | PHE | ALA | ||||
| 3 | GLU | GLY | VAL | LYS | LEU | TRP | GLN | GLU | ASN | ALA | ||||
| 4 | VAL | LEU | TRP | THR | ARG | LEU | VAL | GLN | ALA | PHE | ||||
| 5 | GLN | SER | GLY | ASP | GLN | SER | THR | VAL | ASP | SER | ||||
| 6 | LEU | LEU | LYS | GLN | LEU | ASP | ALA | ASN | ALA | ALA | ||||
| 7 | ARG | VAL | GLU | GLN | LEU | LEU | GLN | ARG | ILE | ILE | ||||
| 8 | SER | GLU | THR | GLY | ASP | GLU | LEU | ALA | ARG | LYS | ||||
| 9 | GLY | GLU | SER | LEU | PHE | GLN | ARG | ASN | GLN | GLN | ||||
| 10 | LEU | PHE | SER | GLN | LEU | LYS | THR | LEU | PHE | SER | ||||
| 11 | GLN | GLY | ASP | GLU | ASP | THR | ALA | LYS | ALA | VAL | ||||
| 12 | LEU | GLU | GLU | ILE | GLN | SER | ASN | LEU | ASN | GLN | ||||
| 13 | ILE | GLN | GLN | ILE | ILE | THR | GLU | ALA | GLN | LYS | ||||
| 14 | ARG | LEU |
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