BMRB Entry 16954
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16954
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Corpora, Takeshi; Roudaia, Liya; Oo, Zaw Min; Chen, Wei; Manuylova, Ekaterina; Cai, Xiongwei; Chen, Michael; Cierpicki, Tomasz; Speck, Nancy; Bushweller, John. "Structure of the AML1-ETO NHR3-PKA(RII) Complex and Its Contribution to AML1-ETO Activity." J. Mol. Biol. 402, 560-577 (2010).
PubMed: 20708017
Assembly members:
PKA(RIIa), polymer, 50 residues, 5621.476 Da.
NHR3, polymer, 38 residues, 4184.758 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 Vector: pHis Parallel 2
Entity Sequences (FASTA):
PKA(RIIa): GAMGSMSHIQIPPGLTELLQ
GYTVEVLRQQPPDLVEFAVE
YFTRLREARA
NHR3: AMADIGSASGYVPEEIWKKA
EEAVNEVKRQAMTELQKA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 470 |
| 15N chemical shifts | 134 |
| 1H chemical shifts | 897 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PKA(RIIa) 1 | 1 |
| 2 | PKA(RIIa) 2 | 1 |
| 3 | NHR3 | 2 |
Entities:
Entity 1, PKA(RIIa) 1 50 residues - 5621.476 Da.
GAMGSMS is a vector artifact from the pHis-Parallel2 expression vector.
| 1 | GLY | ALA | MET | GLY | SER | MET | SER | HIS | ILE | GLN | |
| 2 | ILE | PRO | PRO | GLY | LEU | THR | GLU | LEU | LEU | GLN | |
| 3 | GLY | TYR | THR | VAL | GLU | VAL | LEU | ARG | GLN | GLN | |
| 4 | PRO | PRO | ASP | LEU | VAL | GLU | PHE | ALA | VAL | GLU | |
| 5 | TYR | PHE | THR | ARG | LEU | ARG | GLU | ALA | ARG | ALA |
Entity 2, NHR3 38 residues - 4184.758 Da.
AMADIGS is a vector artifact from the pET-32a expression vector.
| 1 | ALA | MET | ALA | ASP | ILE | GLY | SER | ALA | SER | GLY | ||||
| 2 | TYR | VAL | PRO | GLU | GLU | ILE | TRP | LYS | LYS | ALA | ||||
| 3 | GLU | GLU | ALA | VAL | ASN | GLU | VAL | LYS | ARG | GLN | ||||
| 4 | ALA | MET | THR | GLU | LEU | GLN | LYS | ALA |
Samples:
CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa): NHR3, [U-99% 13C; U-99% 15N], 2 mM; PKA(RIIa) 4 mM; NaPi 20 mM; EDTA 1 mM
CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3: PKA(RIIa), [U-99% 13C; U-99% 15N], 4 mM; NHR3 2 mM; NaPi 20 mM; EDTA 1 mM
sample_conditions_1: ionic strength: 0.0 M; pH: 4.0; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 3D HNCO | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 3D HNCACB | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 3D HNHA | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa) | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
| 3D HNCO | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
| 3D HNCACB | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
| 3D HNHA | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment, peak picking
TALOS, Cornilescu, Delaglio and Bax - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - data analysis
NMR spectrometers:
- Varian Avance 600 MHz
- Varian Avance 500 MHz
Related Database Links:
| PDB | |
| DBJ | BAF85731 BAG73608 BAK63879 BAA03089 BAA03247 BAA03558 BAA06774 BAA07755 |
| EMBL | CAA33094 CAA67817 CAA56311 CAG33073 |
| GB | AAH02763 AAM97689 AAP35889 AAP36931 AAX29035 AAB34819 AAC28931 AAC28932 AAH05850 AAH67078 |
| PRF | 1506340A |
| REF | NP_001266877 NP_004148 NP_062137 XP_003894514 XP_005075011 NP_001102127 NP_001104496 NP_001104497 NP_001185554 NP_001185555 |
| SP | P12368 P13861 Q06455 Q61909 |
| AlphaFold | P12368 P13861 Q61909 Q06455 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks