BMRB Entry 34240
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PDB ID: 6fvc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34240
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Title: Protein environment affects the water-tryptophan binding mode. Molecular dynamics simulations of Engrailed homeodomain mutants PubMed: 29696277
Deposition date: 2018-03-02 Original release date: 2019-03-28
Authors: Trosanova, Z.; Zachrdla, M.; Jansen, S.; Srb, P.; Zidek, L.; Kozelka, J.
Citation: Spackova, N.; Trosanova, Z.; Sebesta, F.; Jansen, S.; Burda, J.; Srb, P.; Zachrdla, M.; Zidek, L.; Kozelka, J.. "Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants." Phys. Chem. Chem. Phys. 20, 12664-12677 (2018).
Assembly members:
entity_1, polymer, 64 residues, 7626.657 Da.
entity_HOH, water, 18.015 Da.
Natural source: Common Name: Fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GAMEKRPRTAFSSEQLARLK
REFNENRYLTERRRQQLSSE
LGLNEAQIKIWFQNERAKIK
KSGS
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 466 |