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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR17378
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: Xue, Jing; Rai, Vivek; Singer, David; Chabierski, Stefan; Xie, Jingjing; Reverdatto, Sergey; Burz, David; Schmidt, Ann Marie; Hoffmann, Ralf; Shekhtman, Alexander. "Advanced Glycation End Product Recognition by the Receptor for AGEs." Structure 19, 722-732 (2011).
PubMed: 21565706
Assembly members:
V_domain, polymer, 105 residues, 11571.429 Da.
CEL-PEP, polymer, 7 residues, 724.677 Da.
MCL, polymer, . residues, 218.250 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: pet28
Entity Sequences (FASTA):
V_domain: GSAQNITARIGEPLVLKCKG
APKKPPQRLEWKLNTGRTEA
WKVLSPQGGGPWDSVARVLP
NGSLFLPAVGIQDEGIFRCQ
AMNRNGKETKSNYRVRVYQI
PGKPE
CEL-PEP: DEFXADE
Data type | Count |
13C chemical shifts | 345 |
15N chemical shifts | 92 |
1H chemical shifts | 656 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | v_domain | 1 |
2 | CEL-PEP | 2 |
3 | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | 3 |
Entity 1, v_domain 105 residues - 11571.429 Da.
Residues 1-2 represent non-native affinity tag Residues 3-105 in the PDB file represent residues 23-123 of the V domain of RAGE.
1 | GLY | SER | 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 | GLY | LYS | PRO | GLU |
Entity 2, CEL-PEP 7 residues - 724.677 Da.
This sequence contains a modified lysine, Nepsilon -carboxy-ethyl-lysine (CEL). The CEL is denoted by X.
1 | ASP | GLU | PHE | CEL | ALA | ASP | GLU |
Entity 3, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE - 218.250 Da.
1 | MCL |
sample_1: V domain, [U-100% 13C; U-100% 15N], 0.1 mM; CEL-PEP 0.3 mM; H2O 90%; D2O 10%
sample-2: V domain, [U-100% 13C; U-100% 15N], 0.32 mM; CEL-PEP 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.130 M; pH: 6.5; pressure: 1 atm; temperature: 298 K
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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HNCA | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample-2 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY | sample-2 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aromatic | sample-2 | isotropic | sample_conditions_1 |
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
CARA, Bartels et al. - chemical shift assignment
BMRB | 19739 19953 |
PDB | |
DBJ | BAA05958 BAA89369 BAC65465 BAG35995 BAG60385 |
GB | AAA03574 AAB47491 AAH20669 AAX07272 AAX07273 |
REF | NP_001127 NP_001192046 NP_001193858 NP_001193863 NP_001193865 |
SP | Q15109 |
AlphaFold | Q3SZR2 Q15109 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks