BMRB Entry 31007
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PDB ID: 7ui5
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31007
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Harman, J.; Reardon, P.; Costello, S.; Warren, G.; Phillips, S.; Connor, P.; Marqusee, S.; Harms, M.. "Evolution avoids a pathological stabilizing interaction in the immune protein S100A9" Proc. Natl. Acad. Sci. U. S. A. 119, e2208029119-e2208029119 (2022).
PubMed: 36194634
Assembly members:
entity_1, polymer, 114 residues, 13263.934 Da.
entity_CA, non-polymer, 40.078 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETDuet-1
Entity Sequences (FASTA):
entity_1: MTSKMSQLERNIETIINTFH
QYSVKLGHPDTLNQGEFKEL
VRKDLQNFLKKENKNEKVIE
HIFEDLDTNADKQLSFEEFI
MLMARLTWASHEKMHEGDEG
PGHHHKPGLGEGTP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 343 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 609 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
| 3 | unit_3 | 2 |
| 4 | unit_4 | 2 |
| 5 | unit_5 | 2 |
| 6 | unit_6 | 2 |
Entities:
Entity 1, unit_1 114 residues - 13263.934 Da.
| 1 | MET | THR | SER | LYS | MET | SER | GLN | LEU | GLU | ARG | ||||
| 2 | ASN | ILE | GLU | THR | ILE | ILE | ASN | THR | PHE | HIS | ||||
| 3 | GLN | TYR | SER | VAL | LYS | LEU | GLY | HIS | PRO | ASP | ||||
| 4 | THR | LEU | ASN | GLN | GLY | GLU | PHE | LYS | GLU | LEU | ||||
| 5 | VAL | ARG | LYS | ASP | LEU | GLN | ASN | PHE | LEU | LYS | ||||
| 6 | LYS | GLU | ASN | LYS | ASN | GLU | LYS | VAL | ILE | GLU | ||||
| 7 | HIS | ILE | PHE | GLU | ASP | LEU | ASP | THR | ASN | ALA | ||||
| 8 | ASP | LYS | GLN | LEU | SER | PHE | GLU | GLU | PHE | ILE | ||||
| 9 | MET | LEU | MET | ALA | ARG | LEU | THR | TRP | ALA | SER | ||||
| 10 | HIS | GLU | LYS | MET | HIS | GLU | GLY | ASP | GLU | GLY | ||||
| 11 | PRO | GLY | HIS | HIS | HIS | LYS | PRO | GLY | LEU | GLY | ||||
| 12 | GLU | GLY | THR | PRO |
Entity 2, unit_3 - Ca - 40.078 Da.
| 1 | CA |
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SPARKY: Backbone
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