BMRB Entry 30017
Click here to enlarge.
PDB ID: 5i8n
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30017
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: Chang, Chin-Chi; Khan, Imran; Tsai, Kun-Lin; Li, Hongchun; Yang, Lee-Wei; Chou, Ruey-Hwang; Yu, Chin. "Blocking the interaction between S100A9 and RAGE V domain using CHAPS molecule: A novel route to drug development against cell proliferation" Biochim. Biophys. Acta 1864, 1558-1569 (2016).
PubMed: 27524699
Assembly members:
entity_1, polymer, 114 residues, 13247.955 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 'BL21-Gold(DE3)pLysS AG' Vector: pET21b
Entity Sequences (FASTA):
entity_1: MTSKMSQLERNIETIINTFH
QYSVKLGHPDTLNQGEFKEL
VRKDLQNFLKKENKNEKVIE
HIMEDLDTNADKQLSFEEFI
MLMARLTWASHEKMHEGDEG
PGHHHKPGLGEGTP
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 435 |
| 15N chemical shifts | 98 |
| 1H chemical shifts | 668 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 1 |
Entities:
Entity 1, entity_1 114 residues - 13247.955 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 | MET | 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 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks