BMRB Entry 5041
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5041
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: Krishnan, V.; Thornton, K.; Thelen, M.; Cosman, M.. "Solution Structure and Backbone Dynamics of the Human DNA Ligase IIIalpha BRCT
Domain" Biochemistry 40, 13158-13166 (2001).
PubMed: 11683624
Assembly members:
DNA Ligase III, polymer, 88 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
Entity Sequences (FASTA):
DNA Ligase III: GSADETLCQTKVLLDIFTGV
RLYLPPSTPDFSRLRRYFVA
FDGDLVQEFDMTSATHVLGS
RDKNPAAQQVSPEWIWACIR
KRRLVAPC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 493 |
| 13C chemical shifts | 310 |
| 15N chemical shifts | 82 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA LIGASE III, unit I | 1 |
| 2 | DNA LIGASE III, unit II | 1 |
Entities:
Entity 1, DNA LIGASE III, unit I 88 residues - Formula weight is not available
| 1 | GLY | SER | ALA | ASP | GLU | THR | LEU | CYS | GLN | THR | ||||
| 2 | LYS | VAL | LEU | LEU | ASP | ILE | PHE | THR | GLY | VAL | ||||
| 3 | ARG | LEU | TYR | LEU | PRO | PRO | SER | THR | PRO | ASP | ||||
| 4 | PHE | SER | ARG | LEU | ARG | ARG | TYR | PHE | VAL | ALA | ||||
| 5 | PHE | ASP | GLY | ASP | LEU | VAL | GLN | GLU | PHE | ASP | ||||
| 6 | MET | THR | SER | ALA | THR | HIS | VAL | LEU | GLY | SER | ||||
| 7 | ARG | ASP | LYS | ASN | PRO | ALA | ALA | GLN | GLN | VAL | ||||
| 8 | SER | PRO | GLU | TRP | ILE | TRP | ALA | CYS | ILE | ARG | ||||
| 9 | LYS | ARG | ARG | LEU | VAL | ALA | PRO | CYS |
Samples:
sample_1: DNA Ligase III, [U-13C; U-15N], 1.0 mM; NaH2PO4 50 mM; NaCl 150 mM; DTT, [U-2H], 25 mM; H2O90 – 95%; D2O5 – 10%
sample_2: DNA Ligase III, [U-15N], 1.0 mM; NaH2PO4 50 mM; NaCl 150 mM; DTT, [U-2H], 25 mM; H2O90 – 95%; D2O5 – 10%
sample_cond_1: pH: 6.6; temperature: 288 K; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | not available |
| 3D 13C-separated NOESY | not available | not available | not available |
| 3D 15N-separated NOESY | not available | not available | not available |
| HNHA | not available | not available | not available |
| DQF-COSY | not available | not available | not available |
Software:
FELIX v2.3 - processing
NMRPipe - data analysis
DYANA v1.5 - structure solution, refinement
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAH13269 |
| EMBL | CAA59230 |
| GB | AAH68005 ADP89974 ADP89976 ADP89978 ADP89980 |
| REF | NP_001252899 NP_039269 XP_003912656 XP_004041980 XP_005258027 |
| SP | P49916 |
| AlphaFold | P49916 P49916 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks