BMRB Entry 16141
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16141
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR solution structure of the HACS1 SH3 domain
Deposition date: 2009-01-27 Original release date: 2012-08-07
Authors: Donaldson, Logan
Citation: Donaldson, Logan. "NMR structure of the HACS1 SH3 domain" Not known ., .-..
Assembly members:
HACS1 SH3 domain, polymer, 63 residues, 7092.297 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
Entity Sequences (FASTA):
HACS1 SH3 domain: GPFCGRARVHTDFTPSPYDT
DSLKIKKGDIIDIICKTPMG
MWTGMLNNKVGNFKFIYVDV
ISE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 249 |
| 15N chemical shifts | 60 |
| 1H chemical shifts | 388 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HACS1 SH3 domain | 1 |
Entities:
Entity 1, HACS1 SH3 domain 63 residues - 7092.297 Da.
| 1 | GLY | PRO | PHE | CYS | GLY | ARG | ALA | ARG | VAL | HIS | ||||
| 2 | THR | ASP | PHE | THR | PRO | SER | PRO | TYR | ASP | THR | ||||
| 3 | ASP | SER | LEU | LYS | ILE | LYS | LYS | GLY | ASP | ILE | ||||
| 4 | ILE | ASP | ILE | ILE | CYS | LYS | THR | PRO | MET | GLY | ||||
| 5 | MET | TRP | THR | GLY | MET | LEU | ASN | ASN | LYS | VAL | ||||
| 6 | GLY | ASN | PHE | LYS | PHE | ILE | TYR | VAL | ASP | VAL | ||||
| 7 | ILE | SER | GLU |
Samples:
sample_1: HACS1SH3, [U-98% 13C; U-98% 15N], 0.6 mM; D2O 10%; H2O 90%; sodium azide 0.05%; sodium chloride 150 mM; sodium phosphate 20 mM
sample_conditions_1: ionic strength: 0.15 M; pH: 7.8; pressure: 1 atm; temperature: 298 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 CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMRView v5.1, Johnson, One Moon Scientific - peak picking
X-PLOR NIH v2.21, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Varian NMRS 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAB84358 BAG54155 |
| EMBL | CAB90391 CDG37814 |
| GB | AAG23355 AAG23356 AAH29112 AAI03063 AAK07746 |
| REF | NP_001030481 NP_001243299 NP_001273452 NP_071419 NP_570834 |
| SP | Q9NSI8 |
| TPG | DAA33638 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts