BMRB Entry 18374
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18374
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Title: NMR structure of the second PHD finger of AIRE (AIRE-PHD2) PubMed: 23074189
Deposition date: 2012-04-03 Original release date: 2012-10-12
Authors: Gaetani, Massimiliano; Chignola, Francesca; Mollica, Luca; Quilici, Giacomo; Mannella, Valeria; Spiliotopoulos, Dimitrios; Musco, Giovanna
Citation: Gaetani, Massimiliano; Matafora, Vittoria; Saare, Mario; Spiliotopoulos, Dimitrios; Mollica, Luca; Quilici, Giacomo; Chignola, Francesca; Mannella, Valeria; Zucchelli, Chiara; Peterson, Part; Bachi, Angela; Musco, Giovanna. "AIRE-PHD fingers are structural hubs to maintain the integrity of chromatin-associated interactome." Nucleic Acids Res. 40, 11756-11768 (2012).
Assembly members:
AIRE-PHD2, polymer, 66 residues, 6810.711 Da.
ZINC ION, 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):
AIRE-PHD2: GAMEGQQNLAPGARCGVCGD
GTDVLRCTHCAAAFHWRCHF
PAGTSRPGTGLRCRSCSGDV
TPAPVE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 192 |
| 15N chemical shifts | 62 |
| 1H chemical shifts | 381 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | AIRE-PHD2 | 1 |
| 2 | ZINC ION_1 | 2 |
| 3 | ZINC ION_2 | 2 |
Entities:
Entity 1, AIRE-PHD2 66 residues - 6810.711 Da.
| 1 | GLY | ALA | MET | GLU | GLY | GLN | GLN | ASN | LEU | ALA | ||||
| 2 | PRO | GLY | ALA | ARG | CYS | GLY | VAL | CYS | GLY | ASP | ||||
| 3 | GLY | THR | ASP | VAL | LEU | ARG | CYS | THR | HIS | CYS | ||||
| 4 | ALA | ALA | ALA | PHE | HIS | TRP | ARG | CYS | HIS | PHE | ||||
| 5 | PRO | ALA | GLY | THR | SER | ARG | PRO | GLY | THR | GLY | ||||
| 6 | LEU | ARG | CYS | ARG | SER | CYS | SER | GLY | ASP | VAL | ||||
| 7 | THR | PRO | ALA | PRO | VAL | GLU |
Entity 2, ZINC ION_1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
AIRE-PHD2-H2O: AIRE-PHD2, [U-100% 13C; U-100% 15N], 0.4 – 0.8 mM; ZINC ION 50 uM; DTT 5 mM; sodium phosphate 50 mM; sodium chloride 0.15 M; sodium azide 0.02%; D2O 10%; H2O 90%
AIRE-PHD2-D2O: AIRE-PHD2, [U-100% 13C; U-100% 15N], 0.4 – 0.8 mM; DTT 5 mM; ZINC ION 50 uM; sodium phosphate 50 mM; sodium chloride 0.15 M; sodium azide 0.02%; D2O 100%
15N-PHD2_H2O: AIRE-PHD2, [U-100% 15N], 0.4 – 0.8 mM; DTT 5 mM; ZINC ION 50 uM; sodium phosphate 50 mM; sodium chloride 0.15 M; sodium azide 0.02%; D2O 10%; H2O 90%
Unlabel_PHD2_H2O: AIRE-PHD20.4 – 0.8 mM; DTT 5 mM; ZINC ION 50 uM; sodium phosphate 50 mM; sodium chloride 0.15 M; sodium azide 0.02%; D2O 10%; H2O 90%
Unlabel_PHD2_D2O: AIRE-PHD20.4 – 0.8 mM; DTT 5 mM; ZINC ION 50 uM; sodium phosphate 50 mM; sodium chloride 0.15 M; sodium azide 0.02%; D2O 100%
AIRE-PHD2_condition: ionic strength: 0.15 M; pH: 6.5; pressure: 1 atm; temperature: 295 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | 15N-PHD2_H2O | isotropic | AIRE-PHD2_condition |
| 2D 1H-13C HSQC | AIRE-PHD2-H2O | isotropic | AIRE-PHD2_condition |
| 2D 1H-1H TOCSY | Unlabel_PHD2_H2O | isotropic | AIRE-PHD2_condition |
| 2D 1H-1H TOCSY | Unlabel_PHD2_D2O | isotropic | AIRE-PHD2_condition |
| 2D 1H-1H NOESY | Unlabel_PHD2_H2O | isotropic | AIRE-PHD2_condition |
| 2D 1H-1H NOESY | Unlabel_PHD2_D2O | isotropic | AIRE-PHD2_condition |
| 3D CBCA(CO)NH | AIRE-PHD2-H2O | isotropic | AIRE-PHD2_condition |
| 3D C(CO)NH | AIRE-PHD2-H2O | isotropic | AIRE-PHD2_condition |
| 3D HNCO | AIRE-PHD2-H2O | isotropic | AIRE-PHD2_condition |
| 3D HNCA | AIRE-PHD2-H2O | isotropic | AIRE-PHD2_condition |
| 3D H(CCO)NH | AIRE-PHD2-H2O | isotropic | AIRE-PHD2_condition |
| 3D HCCH-TOCSY | AIRE-PHD2-D2O | isotropic | AIRE-PHD2_condition |
| 3D HNHA | 15N-PHD2_H2O | isotropic | AIRE-PHD2_condition |
| 3D 1H-15N NOESY | 15N-PHD2_H2O | isotropic | AIRE-PHD2_condition |
| 3D 1H-13C NOESY | AIRE-PHD2-D2O | isotropic | AIRE-PHD2_condition |
Software:
ARIA2.3, Linge, O, . - structure solution
ANALYSIS, CCPN - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAA23988 BAA23989 BAA23990 BAA23991 BAA95560 |
| EMBL | CAB10790 |
| GB | AAI37269 AAI37271 AIC54015 EAX09441 EAX09443 |
| REF | NP_000374 XP_004062941 XP_008975805 XP_009439558 XP_011527853 |
| SP | O43918 |
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