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
MolProbity Validation Chart

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Title:
Structure of PHD domain of UHRF1 in complex with H3 peptide
Deposition date:
2011-07-26
Original release date:
2011-12-12
Authors:
Wang, Chengkun; Shen, Jie; Yang, zhongzheng
Citation:

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).
PubMed: 21808299

Assembly members:

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:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pETDuet

Entity Sequences (FASTA):

Entity Sequences (FASTA):
E3_ubiquitin-protein_ligase_UHRF1: SGPSCKHCKDDVNRLCRVCA CHLCGGRQDPDKQLMCDECD MAFHIYCLDPPLSSVPSEDE WYCPECRND
entity_2: ARTKQTARKST

Data sets:
Data typeCount
13C chemical shifts244
15N chemical shifts66
1H chemical shifts482

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22
3ZINC ION_13
4ZINC ION_23
5ZINC ION_33

Entities:

Entity 1, entity_1 69 residues - 7849.913 Da.

1   SERGLYPROSERCYSLYSHISCYSLYSASP
2   ASPVALASNARGLEUCYSARGVALCYSALA
3   CYSHISLEUCYSGLYGLYARGGLNASPPRO
4   ASPLYSGLNLEUMETCYSASPGLUCYSASP
5   METALAPHEHISILETYRCYSLEUASPPRO
6   PROLEUSERSERVALPROSERGLUASPGLU
7   TRPTYRCYSPROGLUCYSARGASNASP

Entity 2, entity_2 11 residues - 1251.448 Da.

1   ALAARGTHRLYSGLNTHRALAARGLYSSER
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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_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
AlphaFold Q96T88 Q93081

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks