BMRB Entry 18095
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18095
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Title: Solution NMR Structure of Lysine-specific demethylase lid from Drosophila melanogaster, Northeast Structural Genomics Consortium Target FR824D
Deposition date: 2011-11-18 Original release date: 2011-12-01
Authors: Mills, Jeffrey; Lee, Dan; Kohan, Eitan; Sahdev, Seema; Acton, T.; Xiao, R.; Everett, J.; Montelione, G.; Szyperski, Thomas
Citation: Mills, Jeffrey; Lee, Dan; Kohan, Eitan; Sahdev, Seema; Acton, T.; Xiao, R.; Everett, J.; Montelione, G.; Szyperski, Thomas. "Northeast Structural Genomics Consortium Target FR824D" To be published ., .-..
Assembly members:
FR824D, polymer, 107 residues, 12493.614 Da.
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
FR824D: PRVQRLNELEAKTRVKLNFL
DQIAKFWELQGSSLKIPMVE
RKALDLYTLHRIVQEEGGME
QTTKDRKWAKVANRMQYPSS
KSVGATLKAHYERILHPFEV
YTSGKVL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 464 |
| 15N chemical shifts | 112 |
| 1H chemical shifts | 748 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | FR824D | 1 |
Entities:
Entity 1, FR824D 107 residues - 12493.614 Da.
| 1 | PRO | ARG | VAL | GLN | ARG | LEU | ASN | GLU | LEU | GLU | ||||
| 2 | ALA | LYS | THR | ARG | VAL | LYS | LEU | ASN | PHE | LEU | ||||
| 3 | ASP | GLN | ILE | ALA | LYS | PHE | TRP | GLU | LEU | GLN | ||||
| 4 | GLY | SER | SER | LEU | LYS | ILE | PRO | MET | VAL | GLU | ||||
| 5 | ARG | LYS | ALA | LEU | ASP | LEU | TYR | THR | LEU | HIS | ||||
| 6 | ARG | ILE | VAL | GLN | GLU | GLU | GLY | GLY | MET | GLU | ||||
| 7 | GLN | THR | THR | LYS | ASP | ARG | LYS | TRP | ALA | LYS | ||||
| 8 | VAL | ALA | ASN | ARG | MET | GLN | TYR | PRO | SER | SER | ||||
| 9 | LYS | SER | VAL | GLY | ALA | THR | LEU | LYS | ALA | HIS | ||||
| 10 | TYR | GLU | ARG | ILE | LEU | HIS | PRO | PHE | GLU | VAL | ||||
| 11 | TYR | THR | SER | GLY | LYS | VAL | LEU |
Samples:
sampleNC: FR824D, [U-100% 13C; U-100% 15N], 1.1 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM
sampleNC5: FR824D, [U-5% 13C; U-100% 15N], 1.3 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; TRIS 10 mM
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sampleNC | isotropic | sample_conditions_1 |
| 3D HNCO | sampleNC | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sampleNC | isotropic | sample_conditions_1 |
| 3D HNCACB | sampleNC | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sampleNC | isotropic | sample_conditions_1 |
| 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | sampleNC | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sampleNC5 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sampleNC | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sampleNC | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinemen,structure solution,geometry optimization
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution
AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis,refinement
AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment
PROSA, Guntert - processing
CARA, Keller and Wuthrich - data analysis,peak picking,chemical shift assignment
VNMRJ, Varian - collection
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
NMR spectrometers:
- Varian INOVA 750 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| GB | AAF52319 AAM11379 AAN10569 AFH03582 AFH03583 |
| REF | NP_001245908 NP_001245909 NP_001245910 NP_001285649 NP_523486 |
| SP | Q9VMJ7 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts