BMRB Entry 17808
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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/BMR17808
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Title: Structure of PHD domain of UHRF1 in complex with H3 peptide PubMed: 21808299
Deposition date: 2011-07-26 Original release date: 2011-12-12
Authors: Wang, Chengkun; Shen, Jie; Yang, zhongzheng
Citation: Wang, Chengkun; Shen, Jie; Yang, Zhongzheng; Chen, Ping; Zhao, Bin; Hu, Wei; Lan, Wenxian; Tong, Xiaotian; Wu, Houming; Li, Guohong; Cao, Chunyang. "Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger." Cell Res. 21, 1379-1382 (2011).
Assembly members:
E3_ubiquitin-protein_ligase_UHRF1, polymer, 69 residues, 7849.913 Da.
entity_2, polymer, 11 residues, 1251.448 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
Entity Sequences (FASTA):
E3_ubiquitin-protein_ligase_UHRF1: SGPSCKHCKDDVNRLCRVCA
CHLCGGRQDPDKQLMCDECD
MAFHIYCLDPPLSSVPSEDE
WYCPECRND
entity_2: ARTKQTARKST
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 244 |
| 15N chemical shifts | 66 |
| 1H chemical shifts | 482 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
| 3 | ZINC ION_1 | 3 |
| 4 | ZINC ION_2 | 3 |
| 5 | ZINC ION_3 | 3 |
Entities:
Entity 1, entity_1 69 residues - 7849.913 Da.
| 1 | SER | GLY | PRO | SER | CYS | LYS | HIS | CYS | LYS | ASP | ||||
| 2 | ASP | VAL | ASN | ARG | LEU | CYS | ARG | VAL | CYS | ALA | ||||
| 3 | CYS | HIS | LEU | CYS | GLY | GLY | ARG | GLN | ASP | PRO | ||||
| 4 | ASP | LYS | GLN | LEU | MET | CYS | ASP | GLU | CYS | ASP | ||||
| 5 | MET | ALA | PHE | HIS | ILE | TYR | CYS | LEU | ASP | PRO | ||||
| 6 | PRO | LEU | SER | SER | VAL | PRO | SER | GLU | ASP | GLU | ||||
| 7 | TRP | TYR | CYS | PRO | GLU | CYS | ARG | ASN | ASP |
Entity 2, entity_2 11 residues - 1251.448 Da.
| 1 | ALA | ARG | THR | LYS | GLN | THR | ALA | ARG | LYS | SER | ||||
| 2 | THR |
Entity 3, ZINC ION_1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: entity_1, [U-100% 13C; U-100% 15N], 1 mM; H20 1 mM; D2O 1 mM; phosphate 1 mM; NaCl 1 mM; KCl 1 mM
sample_conditions_1: ionic strength: 0.15 M; pH: 7.4; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 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 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
Software:
X-PLOR, Delaglio, Zhengrong and Bax - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| BMRB | 17812 17813 |
| PDB | |
| DBJ | BAF36719 BAF36720 BAF82078 BAG37156 |
| GB | AAF28469 AAI13876 AAK55744 AAV40831 ABQ59043 |
| REF | NP_001041666 NP_001276979 NP_001276980 NP_001276981 NP_037414 |
| SP | Q96T88 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
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or all simulated shifts