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Biological Magnetic Resonance Data Bank


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BMRB Entry 17812

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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/BMR17812
MolProbity Validation Chart

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Title: NMR STRUCTURE OF UHRF1 PHD DOMAINS IN A COMPLEX WITH HISTONE H3 PEPTIDE   PubMed: 21808299

Deposition date: 2011-07-28 Original release date: 2011-09-01

Authors: Wang, Chengkun; Shen, Jie; Yang, Zhongzheng; Chen, Ping; Zhao, Bin; Hu, Wei; Lan, Wenxian; Tong, Xiaotian; Wu, Houming; Li, Guohong; Cao, Chunyang

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:
entity_1, polymer, 69 residues, 7849.913 Da.
entity_2, polymer, 12 residues, 1350.580 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):
entity_1: SGPSCKHCKDDVNRLCRVCA CHLCGGRQDPDKQLMCDECD MAFHIYCLDPPLSSVPSEDE WYCPECRND
entity_2: ARTKQTARXSTG

Data sets:
Data typeCount
13C chemical shifts240
15N chemical shifts64
1H chemical shifts496

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

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 12 residues - 1350.580 Da.

1   ALAARGTHRLYSGLNTHRALAARGM3LSER
2   THRGLY

Entity 3, ZINC ION_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 1.5 mM; entity_2 1.8 mM; H2O 90%; D2O 10%; KH2PO4 2 mM; Na2HPO4 10 mM; KCl 2.7 mM; NaCl 137 mM; DTT 3 mM

sample_conditions_1: ionic strength: 150 mM; pH: 7.0; pressure: 1 atm; temperature: 293.13 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D edited 15N/13C NOESYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH v2.19, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 17808 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
SPARKY: Backbone or all simulated shifts