BMRB Entry 17395
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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17395
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Title: The 27-residue N- terminus CCR5-peptide in a ternary complex with HIV-1 gp120 and a CD4-mimic peptide PubMed: 21763489
Deposition date: 2011-01-06 Original release date: 2011-02-04
Authors: Schnur, Einat; Noah, Eran; Ayzenshtat, Inbal; Sargsyan, Hasmik; Inuib, Tatsuya; Ding, Fa-Xiang; Arshava, Boris; Sagi, Yael; Kessler, Naama; Levy, Rina; Scherf, Tali; Naider, Fred; Anglister, Jacob
Citation: Schnur, Einat; Noah, Eran; Ayzenshtat, Inbal; Sargsyan, Hasmik; Inui, Tatsuya; Ding, Fa-Xiang; Arshava, Boris; Sagi, Yael; Kessler, Naama; Levy, Rina; Scherf, Tali; Naider, Fred; Anglister, Jacob. "The conformation and orientation of a 27-residue CCR5 peptide in a ternary complex with HIV-1 gp120 and a CD4-mimic peptide." J. Mol. Biol. 410, 778-797 (2011).
Assembly members:
CCR5, polymer, 27 residues, 3357.671 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):
CCR5: MDYQVSSPIXDINXYTSEPA
QKINVKQ
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 164 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CCR5 | 1 |
Entities:
Entity 1, CCR5 27 residues - 3357.671 Da.
| 1 | MET | ASP | TYR | GLN | VAL | SER | SER | PRO | ILE | TYS | ||||
| 2 | ASP | ILE | ASN | TYS | TYR | THR | SER | GLU | PRO | ALA | ||||
| 3 | GLN | LYS | ILE | ASN | VAL | LYS | GLN |
Samples:
sample_1: Nt-CCR5 1 mM; gp120/CD4mimic 0.1 mM; H2O 95%; H2O 5%
pH_7.0_300_mM_NaCl: ionic strength: 300 mM; pH: 7.0
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H NOESY | sample_1 | isotropic | pH_7.0_300_mM_NaCl |
Software:
NMRView, Johnson, One Moon Scientific - peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker DRX 800 MHz
Related Database Links:
| PDB |