BMRB Entry 20020
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20020
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Citation: Galanakis, Petros; Kandias, Nikolaos; Rizos, Apostolos; Morikis, Dimitrios; Krambovitis, Elias; Spyroulias, Georgios. "NMR evidence of charge-dependent interaction between various PND V3 and CCR5 N-terminal peptides" Biopolymers 92, 94-109 (2008).
PubMed: 19117029
Assembly members:
PND_LAI, polymer, 15 residues, 1746.110 Da.
PND, non-polymer, 153.139 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
PND_LAI: RKSIRIQRGPGRAFV
- assigned_chemical_shifts
- conformer_family_coord_set
| Data type | Count |
| 13C chemical shifts | 2 |
| 1H chemical shifts | 110 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PND_LAI | 1 |
| 2 | PND | 2 |
Entities:
Entity 1, PND_LAI 15 residues - 1746.110 Da.
| 1 | ARG | LYS | SER | ILE | ARG | ILE | GLN | ARG | GLY | PRO | ||||
| 2 | GLY | ARG | ALA | PHE | VAL |
Entity 2, PND - C6 H7 N3 O2 - 153.139 Da.
| 1 | PND |
Samples:
sample_1: PND LAI2 – 2.5 mM; PND2 – 2.5 mM; D2O 10%; H2O 90%
sample_conditions_1: pH: 7.85; temperature: 278 K
sample_conditions_2: pH: 7.85; temperature: 286 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_2 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_2 |
Software:
AMBER v5.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement
DYANA, Guntert, Braun and Wuthrich - structure solution
XEASY, Bartels et al. - chemical shift assignment
xwinnmr, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 700 MHz