BMRB Entry 5363
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5363
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: 1H, 13C, and 15N Chemical shifts for hERR2 Protein, 1H chemical shifts for DNA PubMed: 12654265
Deposition date: 2002-05-05 Original release date: 2010-07-14
Authors: Gearhart, Micah; Holmbeck, Signe; Evans, Ronald; Dyson, H.; Wright, Peter
Citation: Gearhart, Micah; Holmbeck, Signe; Evans, Ronald; Dyson, H.; Wright, Peter. "Monomeric Complex of Human Orphan Estrogen Related Receptor 2 with DNA: A Pseudo-dimer Interface Mediates Extended Half-site Recognition " J. Mol. Biol. 327, 819-832 (2003).
Assembly members:
Estrogen Related Receptor 2, polymer, 98 residues, Formula weight is not available
DNA Strand1, polymer, 13 residues, Formula weight is not available
DNA Strand2, polymer, 13 residues, Formula weight is not available
ZN, non-polymer, 65.409 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
Entity Sequences (FASTA):
Estrogen Related Receptor 2: AIPKRLCLVCGDIASGYHYG
VASCEACKAFFKRTIQGNIE
YSCPATNECEITKRRRKSCQ
ACRFMKALKVGMLKEGVRLD
RVRGGRQKYKRRLDSENS
DNA Strand1: GCTCAAGGTCACG
DNA Strand2: CGTGACCTTGAGC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 846 |
| 13C chemical shifts | 322 |
| 15N chemical shifts | 98 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | hERR2 protein | 1 |
| 2 | DNA strand 1 | 2 |
| 3 | DNA strand 2 | 3 |
| 4 | ZINC (II) ION | 4 |
Entities:
Entity 1, hERR2 protein 98 residues - Formula weight is not available
| 1 | ALA | ILE | PRO | LYS | ARG | LEU | CYS | LEU | VAL | CYS | ||||
| 2 | GLY | ASP | ILE | ALA | SER | GLY | TYR | HIS | TYR | GLY | ||||
| 3 | VAL | ALA | SER | CYS | GLU | ALA | CYS | LYS | ALA | PHE | ||||
| 4 | PHE | LYS | ARG | THR | ILE | GLN | GLY | ASN | ILE | GLU | ||||
| 5 | TYR | SER | CYS | PRO | ALA | THR | ASN | GLU | CYS | GLU | ||||
| 6 | ILE | THR | LYS | ARG | ARG | ARG | LYS | SER | CYS | GLN | ||||
| 7 | ALA | CYS | ARG | PHE | MET | LYS | ALA | LEU | LYS | VAL | ||||
| 8 | GLY | MET | LEU | LYS | GLU | GLY | VAL | ARG | LEU | ASP | ||||
| 9 | ARG | VAL | ARG | GLY | GLY | ARG | GLN | LYS | TYR | LYS | ||||
| 10 | ARG | ARG | LEU | ASP | SER | GLU | ASN | SER |
Entity 2, DNA strand 1 13 residues - Formula weight is not available
| 1 | DG | DC | DT | DC | DA | DA | DG | DG | DT | DC | ||||
| 2 | DA | DC | DG |
Entity 3, DNA strand 2 13 residues - Formula weight is not available
| 1 | DC | DG | DT | DG | DA | DC | DC | DT | DT | DG | ||||
| 2 | DA | DG | DC |
Entity 4, ZINC (II) ION - Zn - 65.409 Da.
| 1 | ZN |
Samples:
Sample_1: Estrogen Related Receptor 2, [U-13C; U-15N], 0.5 mM; DNA Strand1 0.5 mM; DNA Strand2 0.5 mM; ZINC (II) ION 0.5 mM; K2SO4 20 mM; ZnSO4 50 mM; dithiothreitol (DTT) 2 mM; NaN3 0.001%
Sample_2: Estrogen Related Receptor 2, [U-15N], 0.5 mM; DNA Strand1 0.5 mM; DNA Strand2 0.5 mM; ZINC (II) ION 0.5 mM; K2SO4 20 mM; ZnSO4 50 mM; dithiothreitol (DTT) 2 mM; NaN3 0.001%
Sample_3: Estrogen Related Receptor 2, [U-15N], 0.5 mM; K2SO4 20 mM; ZnSO4 50 mM; dithiothreitol (DTT) 2 mM; NaN3 0.001%
sample_4: DNA Strand1 0.5 mM; DNA Strand2 0.5 mM; K2SO4 20 mM; ZnSO4 50 mM; dithiothreitol (DTT) 2 mM; NaN3 0.001%
cond1: pH: 6.8; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| HNCA | not available | not available | cond1 |
| HNCOCA | not available | not available | cond1 |
| HNCO | not available | not available | cond1 |
| HCACO | not available | not available | cond1 |
| (H)CCH-COSY | not available | not available | cond1 |
| (H)CCH TOCSY | not available | not available | cond1 |
| HNHA | not available | not available | cond1 |
| HNHB | not available | not available | cond1 |
| HA(CA)HB-COSY | not available | not available | cond1 |
| 2D [13C,15N ] u2-filtered TOCSY | not available | not available | cond1 |
| 2D [13C,15N] u1,u2-filtered NOESY | not available | not available | cond1 |
| 3D 15N separated NOESY | not available | not available | cond1 |
| 3D 13C-separated NOESY | not available | not available | cond1 |
Software:
NMRView v4.2 - spectral analysis
NMR spectrometers:
- Bruker DRX 600 MHz
- Bruker DMX 750 MHz
- Bruker DRX 800 MHz
Related Database Links:
| BMRB | 4033 4034 |
| PDB | |
| DBJ | BAC27656 BAC34898 BAG73125 BAH02305 |
| EMBL | CAA35779 CAA61755 CAG09135 CDQ87849 |
| GB | AAB37687 AAC99409 AAG29619 AAH44858 AAI11278 |
| PIR | B29345 |
| PRF | 1402310B |
| REF | NP_001008516 NP_001152972 NP_001156563 NP_004443 NP_036064 |
| SP | O95718 P11475 Q61539 |
| TPG | DAA24995 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts