BMRB Entry 15332
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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/BMR15332
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Title: Solution sturcture of human MEKK3 PB1 domain cis isomer PubMed: 17985933
Deposition date: 2007-06-27 Original release date: 2007-10-29
Authors: Qi, Hu; Jiahai, Zhang; Jihui, Wu; Yunyu, Shi
Citation: Qi, Hu; Weiqun, Shen; Hongda, Huang; Jiangxin, Liu; Jiahai, Zhang; Xiaojuan, Huang; Jihui, Wu; Yunyu, Shi. "Insight into the Binding Properties of MEKK3 PB1 to MEK5 PB1 from Its Solution Structure" Biochemistry 46, 13478-13489 (2007).
Assembly members:
MEKK3_PB1-cis, polymer, 94 residues, Formula weight is not available
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):
MEKK3_PB1-cis: MQSDVRIKFEHNGERRIIAF
SRPVKYEDVEHKVTTVFGQP
LDLHYMNNELSILLKNQDDL
DKAIDILDRSSSMKSLRILL
LSQDRNLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 348 |
| 15N chemical shifts | 93 |
| 1H chemical shifts | 619 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MEKK3 PB1-cis | 1 |
Entities:
Entity 1, MEKK3 PB1-cis 94 residues - Formula weight is not available
| 1 | MET | GLN | SER | ASP | VAL | ARG | ILE | LYS | PHE | GLU | ||||
| 2 | HIS | ASN | GLY | GLU | ARG | ARG | ILE | ILE | ALA | PHE | ||||
| 3 | SER | ARG | PRO | VAL | LYS | TYR | GLU | ASP | VAL | GLU | ||||
| 4 | HIS | LYS | VAL | THR | THR | VAL | PHE | GLY | GLN | PRO | ||||
| 5 | LEU | ASP | LEU | HIS | TYR | MET | ASN | ASN | GLU | LEU | ||||
| 6 | SER | ILE | LEU | LEU | LYS | ASN | GLN | ASP | ASP | LEU | ||||
| 7 | ASP | LYS | ALA | ILE | ASP | ILE | LEU | ASP | ARG | SER | ||||
| 8 | SER | SER | MET | LYS | SER | LEU | ARG | ILE | LEU | LEU | ||||
| 9 | LEU | SER | GLN | ASP | ARG | ASN | LEU | GLU | HIS | HIS | ||||
| 10 | HIS | HIS | HIS | HIS |
Samples:
sample_1: MEKK3 PB1-cis, [U-100% 13C; U-100% 15N], 0.5 mM; phosphate buffer 50 mM; EDTA 1 mM; H2O 90%; D2O 10%
sample_2: MEKK3 PB1-cis, [U-100% 15N], 0.8 mM; phosphate buffer 50 mM; EDTA 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.05 M; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Koradi, Billeter and Wuthrich - data analysis, processing, structure solution
NMR spectrometers:
- Bruker DMX 600 MHz
- Bruker DMX 500 MHz
Related Database Links:
| BMRB | 15355 |
| PDB | |
| DBJ | BAD90481 BAE23244 BAG37709 BAG73407 |
| EMBL | CAD38973 CAL37711 |
| GB | AAB03535 AAB41729 AAH08336 AAH23781 AAH90859 |
| REF | NP_001100528 NP_001244715 NP_002392 NP_036077 NP_976226 |
| SP | Q61084 Q99759 |
| TPG | DAA18328 |
Download simulated HSQC data in one of the following formats:
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or all simulated shifts