BMRB Entry 5668
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5668
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: Kwon, Keehwan; Cao, Chunyang; Stivers, James. "A Novel Zinc Snap Motif Conveys Structural Stability to 3-Methyladenine
DNA Glycosylase I " J. Biol. Chem. 278, 19442-19446 (2003).
PubMed: 12654914
Assembly members:
3-methyladenine DNA glycosylase I, polymer, 187 residues, 21114 Da.
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: E. Coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
3-methyladenine DNA glycosylase I: MERCGWVSQDPLYIAYHDNE
WGVPETDSKKLFEMICLEGQ
QAGLSWITVLKKRENYRACF
HQFDPVKVAAMQEEDVERLV
QDAGIIRHRGKIQAIIGNAR
AYLQMEQNGEPFADFVWSFV
NHQPQMTQATTLSEIPTSTP
ASDALSKALKKRGFKFVGTT
ICYSFMQACGLVNDHVVGCC
CYPGNKP
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 1242 |
| 13C chemical shifts | 786 |
| 15N chemical shifts | 193 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | 3-methyladenine DNA glycosylase I | 1 |
| 2 | Zinc ion (II) | 2 |
Entities:
Entity 1, 3-methyladenine DNA glycosylase I 187 residues - 21114 Da.
| 1 | MET | GLU | ARG | CYS | GLY | TRP | VAL | SER | GLN | ASP | ||||
| 2 | PRO | LEU | TYR | ILE | ALA | TYR | HIS | ASP | ASN | GLU | ||||
| 3 | TRP | GLY | VAL | PRO | GLU | THR | ASP | SER | LYS | LYS | ||||
| 4 | LEU | PHE | GLU | MET | ILE | CYS | LEU | GLU | GLY | GLN | ||||
| 5 | GLN | ALA | GLY | LEU | SER | TRP | ILE | THR | VAL | LEU | ||||
| 6 | LYS | LYS | ARG | GLU | ASN | TYR | ARG | ALA | CYS | PHE | ||||
| 7 | HIS | GLN | PHE | ASP | PRO | VAL | LYS | VAL | ALA | ALA | ||||
| 8 | MET | GLN | GLU | GLU | ASP | VAL | GLU | ARG | LEU | VAL | ||||
| 9 | GLN | ASP | ALA | GLY | ILE | ILE | ARG | HIS | ARG | GLY | ||||
| 10 | LYS | ILE | GLN | ALA | ILE | ILE | GLY | ASN | ALA | ARG | ||||
| 11 | ALA | TYR | LEU | GLN | MET | GLU | GLN | ASN | GLY | GLU | ||||
| 12 | PRO | PHE | ALA | ASP | PHE | VAL | TRP | SER | PHE | VAL | ||||
| 13 | ASN | HIS | GLN | PRO | GLN | MET | THR | GLN | ALA | THR | ||||
| 14 | THR | LEU | SER | GLU | ILE | PRO | THR | SER | THR | PRO | ||||
| 15 | ALA | SER | ASP | ALA | LEU | SER | LYS | ALA | LEU | LYS | ||||
| 16 | LYS | ARG | GLY | PHE | LYS | PHE | VAL | GLY | THR | THR | ||||
| 17 | ILE | CYS | TYR | SER | PHE | MET | GLN | ALA | CYS | GLY | ||||
| 18 | LEU | VAL | ASN | ASP | HIS | VAL | VAL | GLY | CYS | CYS | ||||
| 19 | CYS | TYR | PRO | GLY | ASN | LYS | PRO |
Entity 2, Zinc ion (II) - Zn - 65.409 Da.
| 1 | ZN |
Samples:
Sample_1: 3-methyladenine DNA glycosylase I0.5 – 1.0 mM; sodium phosphate buffer 10 mM; NaCl 100 mM; DTT 3 mM; NaN3 0.3 mM
Sample_2: 3-methyladenine DNA glycosylase I, [U-15N], 0.5 – 1.0 mM; sodium phosphate buffer 10 mM; NaCl 100 mM; DTT 3 mM; NaN3 0.3 mM
Sample_3: 3-methyladenine DNA glycosylase I, [U-13C; U-15N], 0.5 – 1.0 mM; sodium phosphate buffer 10 mM; NaCl 100 mM; DTT 3 mM; NaN3 0.3 mM
sample_condition_1: pH: 6.6; temperature: 293 K; ionic strength: 110 mM
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 13C-edited HSQC | not available | not available | sample_condition_1 |
| 15N-edited HSQC | not available | not available | sample_condition_1 |
| 2D NOESY (t = 125 ms) in D2O | not available | not available | sample_condition_1 |
| 2D TOCSY in D2O | not available | not available | sample_condition_1 |
| HNCA | not available | not available | sample_condition_1 |
| HNCO | not available | not available | sample_condition_1 |
| HCACO | not available | not available | sample_condition_1 |
| HNCACB | not available | not available | sample_condition_1 |
| CBCA(CO)NH | not available | not available | sample_condition_1 |
| HBHA(CO)NH | not available | not available | sample_condition_1 |
| HCCH-TOCSY | not available | not available | sample_condition_1 |
| HCCH-COSY | not available | not available | sample_condition_1 |
| 15N-edited TOCSY | not available | not available | sample_condition_1 |
| 15N-edited NOESY (t = 125 ms) | not available | not available | sample_condition_1 |
| 13C-edited NOESY aliphatic (t = 125 ms) | not available | not available | sample_condition_1 |
| 13C-edited NOESY aromatic (t = 125 ms) | not available | not available | sample_condition_1 |
| 4D 13C,13C-edited NOESY (t = 100 ms) | not available | not available | sample_condition_1 |
| 2D 1H, 15N LR-HSQC | not available | not available | sample_condition_1 |
Software:
NMRPipe - processing
SPARKY v3 - data analysis
NMR spectrometers:
- Bruker DMX 500 MHz
- Bruker DMX 600 MHz
- Bruker DMX 750 MHz
- Varian UnityPlus 600 MHz
Related Database Links:
| BMRB | 5398 |
| PDB | |
| DBJ | BAB37857 BAE77746 BAG79346 BAI28206 BAI33380 |
| EMBL | CAA27472 CAP78009 CAQ33867 CAR00511 CAR05177 |
| GB | AAA24658 AAB18526 AAC76573 AAG58698 AAN82803 |
| REF | NP_290134 NP_312461 NP_418005 NP_756229 WP_000438929 |
| SP | P05100 |
| AlphaFold | P05100 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks