BMRB Entry 4916
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4916
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Inooka, H.; Ohtaki, T.; Kitahara, O.; Ikegami, T.; Endo, S.; Kitada, C.; Ogi, K.; Onda, H.; Fujino, M.; Shirakawa, M.. "Conformation of a Peptide Ligand bound to its G-protein Coupled Receptor" Nat. Struct. Biol. 8, 161-165 (2001).
PubMed: 11175907
Assembly members:
Human peptide hormone, polymer, 22 residues, 2516.7 Da.
G-protein coupled receptor (GPCR), polymer, . residues, 16.023 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
Human peptide hormone: HSDGIFTDSYSRYRKQMAVK
KX
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 134 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Peptide hormone for a G-protein coupled receptor (GPCR) | 1 |
| 2 | G-protein coupled receptor (GPCR) | 2 |
Entities:
Entity 1, Peptide hormone for a G-protein coupled receptor (GPCR) 22 residues - 2516.7 Da.
| 1 | HIS | SER | ASP | GLY | ILE | PHE | THR | ASP | SER | TYR | ||||
| 2 | SER | ARG | TYR | ARG | LYS | GLN | MET | ALA | VAL | LYS | ||||
| 3 | LYS | NH2 |
Entity 2, G-protein coupled receptor (GPCR) - 16.023 Da.
Samples:
sample_1: Human peptide hormone 1.7 mM; G-protein coupled receptor (GPCR) mM
sample_2: Human peptide hormone mM; G-protein coupled receptor (GPCR) mM
sample_cond_1: pH: 6.3; temperature: 298 K; ionic strength: 0.41 M; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| not available | not available | not available | sample_cond_1 |
Software:
X-PLOR v3.1 - Simulated annealing
IRMA v30-Jul-90 - iterative matrix relaxation
NMR spectrometers:
- Bruker DRX 800 MHz
Related Database Links:
| BMRB | 11058 11059 15166 |
| PDB | |
| DBJ | BAA28355 BAC21153 BAC21154 BAC21155 BAC21156 |
| EMBL | CAA42962 CAA51705 CAA55684 CAA56564 CAG10213 |
| GB | AAA31575 AAA41791 AAB20402 AAB21469 AAB21470 |
| PRF | 2107317A |
| REF | NP_001001544 NP_001009776 NP_001040020 NP_001081947 NP_001093203 |
| SP | O70176 P0DJ95 P13589 P16613 P18509 |
| TPG | DAA15829 |
| AlphaFold | O70176 P0DJ95 P13589 P16613 P18509 |