BMRB Entry 16816
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16816
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Title: Solution NMR Structure of SAP domain of MKL/myocardin-like protein 1 from H.sapiens, Northeast Structural Genomics Consortium Target Target HR4547E
Deposition date: 2010-03-31 Original release date: 2010-09-17
Authors: Liu, Gaohua; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Montelione, Gaetano
Citation: Liu, Gaohua; Xiao, Rong; Janjua, Haleema; Acton, Thomas; Montelione, Gaetano. "Northeast Structural Genomics Consortium Target HR4547E" To be published ., .-..
Assembly members:
HR4547E, polymer, 75 residues, 8161.478 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):
HR4547E: MGHHHHHHSHMSTPLTGKPG
ALPANLDDMKVAELKQELKL
RSLPVSGTKTELIERLRAYQ
DQISPVPGAPKAPAA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 218 |
| 15N chemical shifts | 61 |
| 1H chemical shifts | 463 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HR4547E | 1 |
Entities:
Entity 1, HR4547E 75 residues - 8161.478 Da.
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | SER | HIS | ||||
| 2 | MET | SER | THR | PRO | LEU | THR | GLY | LYS | PRO | GLY | ||||
| 3 | ALA | LEU | PRO | ALA | ASN | LEU | ASP | ASP | MET | LYS | ||||
| 4 | VAL | ALA | GLU | LEU | LYS | GLN | GLU | LEU | LYS | LEU | ||||
| 5 | ARG | SER | LEU | PRO | VAL | SER | GLY | THR | LYS | THR | ||||
| 6 | GLU | LEU | ILE | GLU | ARG | LEU | ARG | ALA | TYR | GLN | ||||
| 7 | ASP | GLN | ILE | SER | PRO | VAL | PRO | GLY | ALA | PRO | ||||
| 8 | LYS | ALA | PRO | ALA | ALA |
Samples:
sample_NC: HR4547E, [U-100% 13C; U-100% 15N], 1.1 mM; H2O 95%; D2O 5%
sample_nc5: HR4547E, [U-100% 13C; U-100% 15N], 1.1 mM; H2O 95%; D2O 5%
sample_nc5_rdc: HR4547E, [U-100% 13C; U-100% 15N], 0.8 mM; H2O 95%; D2O 5%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_NC | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_nc5 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_NC | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_NC | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_NC | isotropic | sample_conditions_1 |
| 3D 1H-13C arom NOESY | sample_NC | isotropic | sample_conditions_1 |
| 3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | sample_NC | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_nc5_rdc | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinement, structure solution
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution
AutoStruct v2.1, Huang, Tejero, Powers and Montelione - data analysis, refinement
AutoAssign v2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment, data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking
TOPSPIN, Bruker Biospin - collection
VNMRJ, Varian - collection
NMR spectrometers:
- Bruker Avance 800 MHz
- Varian INOVA 600 MHz
Related Database Links:
| BMRB | 16792 |
| PDB | |
| DBJ | BAA92676 BAG10065 |
| EMBL | CAC38826 CAC38827 CAC38828 CAC38829 CAD28507 |
| GB | AAI15040 AAI41654 AAI41656 AAK54721 EAW60382 |
| REF | NP_001269589 NP_001269590 NP_001269591 NP_065882 XP_002831211 |
| SP | Q969V6 |
Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone
or all simulated shifts