BMRB Entry 5354
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5354
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Title: Structure and Interactions of PAS kinase N-terminal PAS domain: Model for intramolecular kinase regulation PubMed: 12377121
Deposition date: 2002-04-26 Original release date: 2003-01-27
Authors: Amezcua, Carlos; Harper, Shannon; Rutter, Jared; Gardner, Kevin
Citation: Amezcua, Carlos; Harper, Shannon; Rutter, Jared; Gardner, Kevin. "Structure and Interactions of PAS kinase N-terminal PAS domain: Model for Intramolecular Kinase Regulation" Structure 10, 1349-1361 (2002).
Assembly members:
PAS Kinase PAS-A domain, polymer, 114 residues, 12644.5 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):
PAS Kinase PAS-A domain: GAMDPEFNKAIFTVDAKTTE
ILVANDKACGLLGYSSQDLI
GQKLTQFFLRSDSDVVEALS
EEHMEADGHAAVVFGTVVDI
ISRSGEKIPVSVWMKRMRQE
RRLCCVVVLEPVER
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 120 |
| 1H chemical shifts | 808 |
| 13C chemical shifts | 502 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PAS Kinase PAS-A | 1 |
Entities:
Entity 1, PAS Kinase PAS-A 114 residues - 12644.5 Da.
| 1 | GLY | ALA | MET | ASP | PRO | GLU | PHE | ASN | LYS | ALA | ||||
| 2 | ILE | PHE | THR | VAL | ASP | ALA | LYS | THR | THR | GLU | ||||
| 3 | ILE | LEU | VAL | ALA | ASN | ASP | LYS | ALA | CYS | GLY | ||||
| 4 | LEU | LEU | GLY | TYR | SER | SER | GLN | ASP | LEU | ILE | ||||
| 5 | GLY | GLN | LYS | LEU | THR | GLN | PHE | PHE | LEU | ARG | ||||
| 6 | SER | ASP | SER | ASP | VAL | VAL | GLU | ALA | LEU | SER | ||||
| 7 | GLU | GLU | HIS | MET | GLU | ALA | ASP | GLY | HIS | ALA | ||||
| 8 | ALA | VAL | VAL | PHE | GLY | THR | VAL | VAL | ASP | ILE | ||||
| 9 | ILE | SER | ARG | SER | GLY | GLU | LYS | ILE | PRO | VAL | ||||
| 10 | SER | VAL | TRP | MET | LYS | ARG | MET | ARG | GLN | GLU | ||||
| 11 | ARG | ARG | LEU | CYS | CYS | VAL | VAL | VAL | LEU | GLU | ||||
| 12 | PRO | VAL | GLU | ARG |
Samples:
sample_1: PAS Kinase PAS-A domain, [U-15N; U-13C], 0.8 – 1.2 mM
experimental_conditions: pH: 6.5; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | sample_1 | not available | experimental_conditions |
| 1H-13C HSQC | sample_1 | not available | experimental_conditions |
| HNCACB | sample_1 | not available | experimental_conditions |
| CBCA(CO)NH | sample_1 | not available | experimental_conditions |
| HNCO | sample_1 | not available | experimental_conditions |
| C(CO)NNH TOCSY | sample_1 | not available | experimental_conditions |
| H(CCO)NNH TOCSY | sample_1 | not available | experimental_conditions |
| HCCH TOCSY | sample_1 | not available | experimental_conditions |
| 1H-1H TOCSY | sample_1 | not available | experimental_conditions |
| DQF COSY | sample_1 | not available | experimental_conditions |
| HNHA | sample_1 | not available | experimental_conditions |
| 1H-1H NOESY | sample_1 | not available | experimental_conditions |
| 15N-Edited NOESY | sample_1 | not available | experimental_conditions |
| 13C,15N-Edited NOESY | sample_1 | not available | experimental_conditions |
| 1H-15N IPAP | sample_1 | not available | experimental_conditions |
Software:
NMRVIEW v5.04 - Data Analysis
NMRPipe - Data Processing
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 500 MHz
Related Database Links:
| PDB | |
| DBJ | BAA09484 BAG09616 BAH13702 |
| EMBL | CAH18087 |
| GB | AAH50565 AAH63585 AAK69752 EAW71236 EAW71237 |
| REF | NP_001239048 NP_001239049 NP_001239051 NP_001239053 NP_055963 |
| SP | Q96RG2 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts