BMRB Entry 18511
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18511
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Title: Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578D
Deposition date: 2012-06-08 Original release date: 2012-08-21
Authors: Pulavarti, Surya V.S.R.K; Eletsky, Alex; Satyamoorthy, Bharatwaj; Sukumaran, Dinesh; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas
Citation: Pulavarti, Surya V.S.R.K; Eletsky, Alex; Satyamoorthy, Bharatwaj; Sukumaran, Dinesh; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of Ig like domain (1277-1357) of Obscurin-like protein 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8578D" To be published ., .-..
Assembly members:
HR8578D, polymer, 84 residues, 8888.005 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):
HR8578D: SHMTRVRSTPGGDLELVVHL
SGPGGPVRWYKDGERLASQG
RVQLEQAGARQVLRVQGARS
GDAGEYLCDAPQDSRIFLVS
VEEP
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 542 |
| 13C chemical shifts | 332 |
| 15N chemical shifts | 79 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HR8578D | 1 |
Entities:
Entity 1, HR8578D 84 residues - 8888.005 Da.
| 1 | SER | HIS | MET | THR | ARG | VAL | ARG | SER | THR | PRO | ||||
| 2 | GLY | GLY | ASP | LEU | GLU | LEU | VAL | VAL | HIS | LEU | ||||
| 3 | SER | GLY | PRO | GLY | GLY | PRO | VAL | ARG | TRP | TYR | ||||
| 4 | LYS | ASP | GLY | GLU | ARG | LEU | ALA | SER | GLN | GLY | ||||
| 5 | ARG | VAL | GLN | LEU | GLU | GLN | ALA | GLY | ALA | ARG | ||||
| 6 | GLN | VAL | LEU | ARG | VAL | GLN | GLY | ALA | ARG | SER | ||||
| 7 | GLY | ASP | ALA | GLY | GLU | TYR | LEU | CYS | ASP | ALA | ||||
| 8 | PRO | GLN | ASP | SER | ARG | ILE | PHE | LEU | VAL | SER | ||||
| 9 | VAL | GLU | GLU | PRO |
Samples:
sample_1: HR8578D.005, [U-100% 13C; U-100% 15N], 0.56 mM; NaCl 100 mM; DTT 5 mM; NaN3 0.02%; Tris-HCl pH 7.5 10 mM; H20 90%; D20 10%
sample_2: HR8578D.006, [U-5% 13C; U-100% 15N], 0.52 mM; NaCl 100 mM; DTT 5 mM; NaN3 0.02%; Tris-HCl pH 7.5 10 mM; H20 90%; D20 10%
sample_conditions_1: pH: 7.5; 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 aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC (CT-28 ms) aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC (CT-16 ms) aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC (CT-27 ms) aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D-HCCH-COSY-ali | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY-aro | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC (CT-56 ms) aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | 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
CARA v1.8.4, Keller and Wuthrich - chemical shift assignment
VNMRJ, Varian - collection
CSI, (CSI) Wishart and Sykes - Secondary structure analysis
PROSA v6.4, Guntert - processing
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
PSVS, Bhattacharya, Montelione - structure validation
NMR spectrometers:
- Varian INOVA 750 MHz
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts