BMRB Entry 18805
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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/BMR18805
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Title: Solution NMR Structure of Homeobox Domain of Human ALX4, Northeast Structural Genomics Consortium (NESG) Target HR4490C
Deposition date: 2012-10-24 Original release date: 2012-11-21
Authors: Xu, Xianzhong; Eletsky, Alexander; Pulavarti, S.V.S.R.K.; Lee, Dan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas
Citation: Xu, Xianzhong; Eletsky, Alexander; Pulavarti, S.V.S.R.K.; Lee, Dan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR Structure of Homeobox Domain of Human ALX4, Northeast Structural Genomics Consortium (NESG) Target HR4490C" To be published ., .-..
Assembly members:
HR4490C, polymer, 75 residues, 9356.744 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):
HR4490C: SHMSNKGKKRRNRTTFTSYQ
LEELEKVFQKTHYPDVYARE
QLAMRTDLTEARVQVWFQNR
RAKWRKRERFGQMQQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 259 |
| 15N chemical shifts | 60 |
| 1H chemical shifts | 417 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HR4490C | 1 |
Entities:
Entity 1, HR4490C 75 residues - 9356.744 Da.
Residues 4-75 correspond to residues 209-280 of the native protein. Residues 1-3 represent the remainder of the purification tag.
| 1 | SER | HIS | MET | SER | ASN | LYS | GLY | LYS | LYS | ARG | ||||
| 2 | ARG | ASN | ARG | THR | THR | PHE | THR | SER | TYR | GLN | ||||
| 3 | LEU | GLU | GLU | LEU | GLU | LYS | VAL | PHE | GLN | LYS | ||||
| 4 | THR | HIS | TYR | PRO | ASP | VAL | TYR | ALA | ARG | GLU | ||||
| 5 | GLN | LEU | ALA | MET | ARG | THR | ASP | LEU | THR | GLU | ||||
| 6 | ALA | ARG | VAL | GLN | VAL | TRP | PHE | GLN | ASN | ARG | ||||
| 7 | ARG | ALA | LYS | TRP | ARG | LYS | ARG | GLU | ARG | PHE | ||||
| 8 | GLY | GLN | MET | GLN | GLN |
Samples:
HR4490C.003: HR4490C, [U-100% 13C; U-100% 15N], 0.871 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; Tris-HCl 10 mM; DSS 50 uM; H2O 90%; D2O 10%
HR4490C.002: HR4490C, [5% 13C; U-100% 15N], 0.6 mM; sodium chloride 100 mM; DTT 5 mM; sodium azide 0.02%; Tris-HCl 10 mM; DSS 50 uM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | HR4490C.003 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC ali | HR4490C.003 | isotropic | sample_conditions_1 |
| 3D HNCO | HR4490C.003 | isotropic | sample_conditions_1 |
| (4,3)D GFT CABCA(CO)NH | HR4490C.003 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aro | HR4490C.003 | isotropic | sample_conditions_1 |
| (4,3)D GFT HNCABCA | HR4490C.003 | isotropic | sample_conditions_1 |
| 3D simultaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY | HR4490C.003 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | HR4490C.003 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | HR4490C.003 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY ali | HR4490C.003 | isotropic | sample_conditions_1 |
| (4,3)D GFT HCCH-COSY ali | HR4490C.003 | isotropic | sample_conditions_1 |
| (4,3)D GFT HCCH-COSY aro | HR4490C.003 | isotropic | sample_conditions_1 |
| 2D 15N HSQC His | HR4490C.003 | isotropic | sample_conditions_1 |
| 2D 13C CT-HSQC | HR4490C.002 | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement,structure solution,geometry optimization
CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement,geometry optimization,structure solution
AS-DP v1.0, Huang, Tejero, Powers and Montelione - data analysis,refinement
AutoAssign v2.3.1, Zimmerman, Moseley, Kulikowski and Montelione - data analysis,chemical shift assignment
CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking
VNMRJ v2.2D, Varian - collection
TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization
PSVS v1.4, Bhattacharya, Montelione - structure validation
PROSA, Guntert - data analysis
CSI, Wishart and Sykes - data analysis
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
Related Database Links:
| UNP | Q9H161 |
| PDB | |
| DBJ | BAB47417 BAG11360 |
| EMBL | CAC15060 CAC15120 CAF99670 CAG08730 CAJ14976 |
| GB | AAC39943 AAC61772 AAG23961 AAI35030 AAI66622 |
| REF | NP_001025475 NP_001100023 NP_031468 NP_068745 NP_989493 |
| SP | O35137 Q4LAL6 Q9H161 |
| TPG | DAA21782 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts