BMRB Entry 30767

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PDB ID: 6xn9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30767
MolProbity Validation Chart

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Title:
Solution NMR structure of recifin, a cysteine-rich tyrosyl-DNA Phosphodiesterase I modulatory peptide from the marine sponge Axinella sp.
Deposition date:
2020-07-02
Original release date:
2021-02-04
Authors:
Schroeder, C.; Rosengren, K.; O'Keefe, B.
Citation:

Citation: Krumpe, Lauren; Wilson, Brice; Marchand, Christophe; Sunassee, Suthananda; Bermingham, Alun; Wang, Wenjie; Price, Edmund; Guszczynski, Tad; Kelley, James; Gustafson, Kirk; Pommier, Yves; Rosengren, K Johan; Schroeder, Christina; O'Keefe, Barry. "Recifin A, Initial Example of the Tyr-Lock Peptide Structural Family, Is a Selective Allosteric Inhibitor of Tyrosyl-DNA Phosphodiesterase I"  J. Am. Chem. Soc. 142, 21178-21188 (2020).
PubMed: 33263997

Assembly members:

Assembly members:
entity_1, polymer, 42 residues, 4924.441 Da.

Natural source:

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:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XEAFCYSDRFCQNYIGSIPD CCFGRGSYSFELQPPPWECY QC

Data sets:
Data typeCount
13C chemical shifts98
1H chemical shifts271

Additional metadata:

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Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 42 residues - 4924.441 Da.

1   PCAGLUALAPHECYSTYRSERASPARGPHE
2   CYSGLNASNTYRILEGLYSERILEPROASP
3   CYSCYSPHEGLYARGGLYSERTYRSERPHE
4   GLULEUGLNPROPROPROTRPGLUCYSTYR
5   GLNCYS