BMRB Entry 31130
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PDB ID: 8v2v
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31130
MolProbity Validation Chart
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Smallwood, Taylor; Krumpe, Lauren; Payne, Colton; Klein, Victoria; O'Keefe, Barry; Clark, Richard; Schroeder, Christina; Rosengren, K Johan. "Picking the tyrosine-lock: chemical synthesis of the tyrosyl-DNA phosphodiesterase I inhibitor recifin A and analogues" Chem. Sci. 15, 13227-13233 (2024).
PubMed: 39183914
Assembly members:
entity_1, polymer, 41 residues, 4797.343 Da.
entity_PCA, non-polymer, 129.114 Da.
Natural source: Common Name: Axinella sp. 1 TF-2017 Taxonomy ID: 2041915 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Axinella Axinella sp. 1 TF-2017
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: EAFCFSDRFCQNYIGSIPDC
CFGRGSYSFELQPPPWECYQ
C
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 75 |
| 15N chemical shifts | 17 |
| 1H chemical shifts | 269 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 2 |
Entities:
Entity 1, unit_1 41 residues - 4797.343 Da.
| 1 | GLU | ALA | PHE | CYS | PHE | SER | ASP | ARG | PHE | CYS | ||||
| 2 | GLN | ASN | TYR | ILE | GLY | SER | ILE | PRO | ASP | CYS | ||||
| 3 | CYS | PHE | GLY | ARG | GLY | SER | TYR | SER | PHE | GLU | ||||
| 4 | LEU | GLN | PRO | PRO | PRO | TRP | GLU | CYS | TYR | GLN | ||||
| 5 | CYS |
Entity 2, unit_2 - C5 H7 N O3 - 129.114 Da.
| 1 | PCA |
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