BMRB Entry 16878
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16878
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Chakravarty, Suvobrata; Zeng, Lei; Zhou, Ming-Ming. "Structure and site-specific recognition of histone H3 by the PHD finger of human autoimmune regulator." Structure 17, 670-679 (2009).
PubMed: 19446523
Assembly members:
AIRE_PHD_finger_1, polymer, 56 residues, 6019.845 Da.
Histone_H3_1-20Cys, polymer, 21 residues, 2293.733 Da.
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 Vector: pGEX-4T3
Entity Sequences (FASTA):
AIRE_PHD_finger_1: GSKNEDECAVCRDGGELICC
DGCPRAFHLACLSPPLREIP
SGTWRCSSCLQATVQE
Histone_H3_1-20Cys: ARTKQTARKSTGGKAPRKQL
C
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 163 |
| 15N chemical shifts | 47 |
| 1H chemical shifts | 318 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | AIRE_PHD_finger_1 | 1 |
| 2 | Histone_H3_1-20Cys | 2 |
| 3 | ZINC_1 | 3 |
| 4 | ZINC_2 | 3 |
Entities:
Entity 1, AIRE_PHD_finger_1 56 residues - 6019.845 Da.
| 1 | GLY | SER | LYS | ASN | GLU | ASP | GLU | CYS | ALA | VAL | ||||
| 2 | CYS | ARG | ASP | GLY | GLY | GLU | LEU | ILE | CYS | CYS | ||||
| 3 | ASP | GLY | CYS | PRO | ARG | ALA | PHE | HIS | LEU | ALA | ||||
| 4 | CYS | LEU | SER | PRO | PRO | LEU | ARG | GLU | ILE | PRO | ||||
| 5 | SER | GLY | THR | TRP | ARG | CYS | SER | SER | CYS | LEU | ||||
| 6 | GLN | ALA | THR | VAL | GLN | GLU |
Entity 2, Histone_H3_1-20Cys 21 residues - 2293.733 Da.
| 1 | ALA | ARG | THR | LYS | GLN | THR | ALA | ARG | LYS | SER | ||||
| 2 | THR | GLY | GLY | LYS | ALA | PRO | ARG | LYS | GLN | LEU | ||||
| 3 | CYS |
Entity 3, ZINC_1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: AIRE PHD finger 1, [U-100% 15N], 0.5 mM; phosphate buffer 10 mM; NaCl 250 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 250 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(COCA)CB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
ARIA v2.2, Linge, O'Donoghue and Nilges - data analysis
CNS v1.0, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker DRX 800 MHz
Related Database Links:
| . | NP_000374 |
| PDB | |
| DBJ | BAA23988 BAA23989 BAA23990 BAA23991 BAA23992 BAB27616 BAG57022 GAC74844 |
| EMBL | CAA08759 CAB10790 CAG04369 CAG11543 CAP39588 CAP53898 CAP72538 |
| GB | AAI37269 AAI37271 AIC54015 EAX09441 EAX09442 AAH67493 AAR37358 AAT97343 AAT97344 AAX52110 |
| REF | NP_000374 XP_003419041 XP_004062941 XP_006876868 XP_008975805 NP_001281095 XP_001061048 XP_001249529 XP_001712222 XP_002029274 |
| SP | O43918 |
| BMRB | 11358 16694 |
| TPG | DAA24942 DAA45649 |
| AlphaFold | O43918 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
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or all simulated peaks