BMRB Entry 18934
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18934
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Title: Binary complex of African Swine Fever Virus Pol X with MgdGTP PubMed: 24617852
Deposition date: 2013-01-03 Original release date: 2014-03-31
Authors: Wu, Wen-Jin; Su, Mei-I; Tsai, Ming-Daw
Citation: Wu, Wen-Jin; Su, Mei-I; Wu, Jian-Li; Kumar, Sandeep; Lim, Liang-Hin; Wang, Chun-Wei Eric; Nelissen, Frank; Chen, Ming-Chuan Chad; Doreleijers, Jurgen; Wijmenga, Sybren; Tsai, Ming-Daw. "How a low-fidelity DNA polymerase chooses non-watson-crick from watson-crick incorporation." J. Am. Chem. Soc. 136, 4927-4937 (2014).
Assembly members:
entity_1, polymer, 174 residues, 20351.670 Da.
entity_MG, non-polymer, 24.305 Da.
entity_DGT, non-polymer, 507.181 Da.
Natural source: Common Name: African Swine Fever Virus Taxonomy ID: 10497 Superkingdom: Viruses Kingdom: not available Genus/species: Asfivirus African Swine Fever Virus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MLTLIQGKKIVNHLRSRLAF
EYNGQLIKILSKNIVAVGSL
RREEKMLNDVDLLIIVPEKK
LLKHVLPNIRIKGLSFSVKV
CGERKCVLFIEWEKKTYQLD
LFTALAEEKPYAIFHFTGPV
SYLIRIRAALKKKNYKLNQY
GLFKNQTLVPLKITTEKELI
KELGFTYRIPKKRL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 796 |
| 15N chemical shifts | 180 |
| 1H chemical shifts | 1381 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | African Swine Fever Virus Pol X | 1 |
| 2 | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | 3 |
| 3 | MG2_1 | 2 |
| 4 | MG2_2 | 2 |
Entities:
Entity 1, African Swine Fever Virus Pol X 174 residues - 20351.670 Da.
| 1 | MET | LEU | THR | LEU | ILE | GLN | GLY | LYS | LYS | ILE | ||||
| 2 | VAL | ASN | HIS | LEU | ARG | SER | ARG | LEU | ALA | PHE | ||||
| 3 | GLU | TYR | ASN | GLY | GLN | LEU | ILE | LYS | ILE | LEU | ||||
| 4 | SER | LYS | ASN | ILE | VAL | ALA | VAL | GLY | SER | LEU | ||||
| 5 | ARG | ARG | GLU | GLU | LYS | MET | LEU | ASN | ASP | VAL | ||||
| 6 | ASP | LEU | LEU | ILE | ILE | VAL | PRO | GLU | LYS | LYS | ||||
| 7 | LEU | LEU | LYS | HIS | VAL | LEU | PRO | ASN | ILE | ARG | ||||
| 8 | ILE | LYS | GLY | LEU | SER | PHE | SER | VAL | LYS | VAL | ||||
| 9 | CYS | GLY | GLU | ARG | LYS | CYS | VAL | LEU | PHE | ILE | ||||
| 10 | GLU | TRP | GLU | LYS | LYS | THR | TYR | GLN | LEU | ASP | ||||
| 11 | LEU | PHE | THR | ALA | LEU | ALA | GLU | GLU | LYS | PRO | ||||
| 12 | TYR | ALA | ILE | PHE | HIS | PHE | THR | GLY | PRO | VAL | ||||
| 13 | SER | TYR | LEU | ILE | ARG | ILE | ARG | ALA | ALA | LEU | ||||
| 14 | LYS | LYS | LYS | ASN | TYR | LYS | LEU | ASN | GLN | TYR | ||||
| 15 | GLY | LEU | PHE | LYS | ASN | GLN | THR | LEU | VAL | PRO | ||||
| 16 | LEU | LYS | ILE | THR | THR | GLU | LYS | GLU | LEU | ILE | ||||
| 17 | LYS | GLU | LEU | GLY | PHE | THR | TYR | ARG | ILE | PRO | ||||
| 18 | LYS | LYS | ARG | LEU |
Entity 3, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE - C10 H16 N5 O13 P3 - 507.181 Da.
| 1 | DGT |
Entity 2, MG2_1 - Mg - 24.305 Da.
| 1 | MG |
Samples:
sample_1: African Swine Fever Virus Pol X, [U-100% 13C; U-100% 15N], 0.5 mM; 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, [U-100% 13C; U-100% 15N], 5 mM; MG2 10 mM; DTT, [U-100% 2H], 10 mM; Borate 50 mM; potassium chloride 50 mM
sample_2: African Swine Fever Virus Pol X, [U-13C; U-15N; U-2H], 0.5 mM; 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE 5 mM; MG2 10 mM; DTT, [U-100% 2H], 10 mM; Borate 50 mM; potassium chloride 50 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
HADDOCK, Dr. Alexandre Bonvin - refinement
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 850 MHz
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 18933 18935 |
| PDB | |
| EMBL | CAN10196 CAN10446 CBH29197 |
| GB | AAA65326 AIY22288 AIY22446 AKO62778 |
| PRF | 2113434DC |
| REF | NP_042790 |
| SP | P0C984 P42494 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts