BMRB Entry 19739
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19739
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: Penumutchu, Srinivasa; Chou, Ruey-Hwang; Yu, Chin. "Structural insights into calcium-bound S100P and the V domain of the RAGE complex" PLoS One 9, e103947-e103947 (2014).
PubMed: 25084534
Assembly members:
entity_1, polymer, 101 residues, 11217.104 Da.
entity_2, polymer, 188 residues, 20547.553 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: pET-15b(+)
Entity Sequences (FASTA):
entity_1: AMAQNITARIGEPLVLKCKG
APKKPPQRLEWKLNTGRTEA
WKVLSPQGGGPWDSVARVLP
NGSLFLPAVGIQDEGIFRCQ
AMNRNGKETKSNYRVRVYQI
P
entity_2: MTELETAMGMIIDVFSRYSG
SEGSTQTLTKGELKVLMEKE
LPGFLQSGKDKDAVDKLLKD
LDANGDAQVDFSEFIVFVAA
ITSACHKYFEKAGLMTELET
AMGMIIDVFSRYSGSEGSTQ
TLTKGELKVLMEKELPGFLQ
SGKDKDAVDKLLKDLDANGD
AQVDFSEFIVFVAAITSACH
KYFEKAGL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 214 |
| 15N chemical shifts | 81 |
| 1H chemical shifts | 443 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | V-domain of Rage_1 | 1 |
| 2 | V-domain of Rage_2 | 1 |
| 3 | Calcium Bound S100P | 2 |
Entities:
Entity 1, V-domain of Rage_1 101 residues - 11217.104 Da.
| 1 | ALA | MET | ALA | GLN | ASN | ILE | THR | ALA | ARG | ILE | ||||
| 2 | GLY | GLU | PRO | LEU | VAL | LEU | LYS | CYS | LYS | GLY | ||||
| 3 | ALA | PRO | LYS | LYS | PRO | PRO | GLN | ARG | LEU | GLU | ||||
| 4 | TRP | LYS | LEU | ASN | THR | GLY | ARG | THR | GLU | ALA | ||||
| 5 | TRP | LYS | VAL | LEU | SER | PRO | GLN | GLY | GLY | GLY | ||||
| 6 | PRO | TRP | ASP | SER | VAL | ALA | ARG | VAL | LEU | PRO | ||||
| 7 | ASN | GLY | SER | LEU | PHE | LEU | PRO | ALA | VAL | GLY | ||||
| 8 | ILE | GLN | ASP | GLU | GLY | ILE | PHE | ARG | CYS | GLN | ||||
| 9 | ALA | MET | ASN | ARG | ASN | GLY | LYS | GLU | THR | LYS | ||||
| 10 | SER | ASN | TYR | ARG | VAL | ARG | VAL | TYR | GLN | ILE | ||||
| 11 | PRO |
Entity 2, Calcium Bound S100P 188 residues - 20547.553 Da.
| 1 | MET | THR | GLU | LEU | GLU | THR | ALA | MET | GLY | MET | ||||
| 2 | ILE | ILE | ASP | VAL | PHE | SER | ARG | TYR | SER | GLY | ||||
| 3 | SER | GLU | GLY | SER | THR | GLN | THR | LEU | THR | LYS | ||||
| 4 | GLY | GLU | LEU | LYS | VAL | LEU | MET | GLU | LYS | GLU | ||||
| 5 | LEU | PRO | GLY | PHE | LEU | GLN | SER | GLY | LYS | ASP | ||||
| 6 | LYS | ASP | ALA | VAL | ASP | LYS | LEU | LEU | LYS | ASP | ||||
| 7 | LEU | ASP | ALA | ASN | GLY | ASP | ALA | GLN | VAL | ASP | ||||
| 8 | PHE | SER | GLU | PHE | ILE | VAL | PHE | VAL | ALA | ALA | ||||
| 9 | ILE | THR | SER | ALA | CYS | HIS | LYS | TYR | PHE | GLU | ||||
| 10 | LYS | ALA | GLY | LEU | MET | THR | GLU | LEU | GLU | THR | ||||
| 11 | ALA | MET | GLY | MET | ILE | ILE | ASP | VAL | PHE | SER | ||||
| 12 | ARG | TYR | SER | GLY | SER | GLU | GLY | SER | THR | GLN | ||||
| 13 | THR | LEU | THR | LYS | GLY | GLU | LEU | LYS | VAL | LEU | ||||
| 14 | MET | GLU | LYS | GLU | LEU | PRO | GLY | PHE | LEU | GLN | ||||
| 15 | SER | GLY | LYS | ASP | LYS | ASP | ALA | VAL | ASP | LYS | ||||
| 16 | LEU | LEU | LYS | ASP | LEU | ASP | ALA | ASN | GLY | ASP | ||||
| 17 | ALA | GLN | VAL | ASP | PHE | SER | GLU | PHE | ILE | VAL | ||||
| 18 | PHE | VAL | ALA | ALA | ILE | THR | SER | ALA | CYS | HIS | ||||
| 19 | LYS | TYR | PHE | GLU | LYS | ALA | GLY | LEU |
Samples:
sample_1: entity_1, [U-100% 13C; U-100% 15N], 0.6 mM; entity_2, [U-100% 13C; U-100% 15N], 0.6 mM; Tris-HCl 20 mM; KCl 100 mM; CaCl2 4 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Varian INOVA 700 MHz
Related Database Links:
| BMRB | 17378 19953 17866 |
| PDB | |
| DBJ | BAA05958 BAA89369 BAC65465 BAG35995 BAG60385 BAJ20330 |
| GB | AAA03574 AAB47491 AAH20669 AAX07272 AAX07273 AAH06819 AAO41114 AAP35953 AAX31997 AAX31998 |
| REF | NP_001127 NP_001192046 NP_001193858 NP_001193863 NP_001193865 NP_005971 XP_001091876 XP_002814597 XP_003310290 XP_003816512 |
| SP | Q15109 P25815 |
| EMBL | CAA46566 |
| AlphaFold | Q15109 P25815 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks