BMRB Entry 31098
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31098
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
Title: Solution structure of the zinc finger repeat domain of BCL11A (ZnF456)
Deposition date: 2023-07-17 Original release date: 2024-07-17
Authors: Viennet, T.; Yin, M.; Orkin, S.; Arthanari, H.
Citation: Viennet, T.; Yin, M.; Jayaraj, A.; Kim, W.; Sun, Z.-Y.J.; Seo, H.-S.; Dhe-Paganon, S.; Orkin, S.; Arthanari, H.. "Structural and dynamic investigation of DNA-binding by BCL11A reveals a specific role for ZnF6" .
Assembly members:
entity_1, polymer, 100 residues, 11703.447 Da.
entity_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 BL21(DE3)
Entity Sequences (FASTA):
entity_1: SEGRRSDTCEYCGKVFKNCS
NLTVHRRSHTGERPYKCELC
NYACAQSSKLTRHMKTHGQV
GKDVYKCEICKMPFSVYSTL
EKHMKKWHSDRVLNNDIKTE
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 311 |
15N chemical shifts | 97 |
1H chemical shifts | 551 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | unit_1 | 1 |
2 | unit_2 | 2 |
3 | unit_3 | 2 |
4 | unit_4 | 2 |
Entities:
Entity 1, unit_1 100 residues - 11703.447 Da.
1 | SER | GLU | GLY | ARG | ARG | SER | ASP | THR | CYS | GLU | |
2 | TYR | CYS | GLY | LYS | VAL | PHE | LYS | ASN | CYS | SER | |
3 | ASN | LEU | THR | VAL | HIS | ARG | ARG | SER | HIS | THR | |
4 | GLY | GLU | ARG | PRO | TYR | LYS | CYS | GLU | LEU | CYS | |
5 | ASN | TYR | ALA | CYS | ALA | GLN | SER | SER | LYS | LEU | |
6 | THR | ARG | HIS | MET | LYS | THR | HIS | GLY | GLN | VAL | |
7 | GLY | LYS | ASP | VAL | TYR | LYS | CYS | GLU | ILE | CYS | |
8 | LYS | MET | PRO | PHE | SER | VAL | TYR | SER | THR | LEU | |
9 | GLU | LYS | HIS | MET | LYS | LYS | TRP | HIS | SER | ASP | |
10 | ARG | VAL | LEU | ASN | ASN | ASP | ILE | LYS | THR | GLU |
Entity 2, unit_2 - Zn - 65.409 Da.
1 | ZN |
Samples:
sample_1: sodium chloride 137 mM; potassium chloride 2.7 mM; sodium phosphate 10 mM; potassium phosphate 1.8 mM; dithiothreitol 1 mM
sample_conditions_1: ionic strength: 163 mM; 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 |
2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin v3.2, Bruker Biospin - collection
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman - refinement
NMR spectrometers:
- Bruker AVANCE III HD 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts