BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18374

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

Data sets:
Data typeCount
13C chemical shifts192
15N chemical shifts62
1H chemical shifts381

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AIRE-PHD21
2ZINC ION_12
3ZINC ION_22

Entities:

Entity 1, AIRE-PHD2 66 residues - 6810.711 Da.

1   GLYALAMETGLUGLYGLNGLNASNLEUALA
2   PROGLYALAARGCYSGLYVALCYSGLYASP
3   GLYTHRASPVALLEUARGCYSTHRHISCYS
4   ALAALAALAPHEHISTRPARGCYSHISPHE
5   PROALAGLYTHRSERARGPROGLYTHRGLY
6   LEUARGCYSARGSERCYSSERGLYASPVAL
7   THRPROALAPROVALGLU

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQC15N-PHD2_H2OisotropicAIRE-PHD2_condition
2D 1H-13C HSQCAIRE-PHD2-H2OisotropicAIRE-PHD2_condition
2D 1H-1H TOCSYUnlabel_PHD2_H2OisotropicAIRE-PHD2_condition
2D 1H-1H TOCSYUnlabel_PHD2_D2OisotropicAIRE-PHD2_condition
2D 1H-1H NOESYUnlabel_PHD2_H2OisotropicAIRE-PHD2_condition
2D 1H-1H NOESYUnlabel_PHD2_D2OisotropicAIRE-PHD2_condition
3D CBCA(CO)NHAIRE-PHD2-H2OisotropicAIRE-PHD2_condition
3D C(CO)NHAIRE-PHD2-H2OisotropicAIRE-PHD2_condition
3D HNCOAIRE-PHD2-H2OisotropicAIRE-PHD2_condition
3D HNCAAIRE-PHD2-H2OisotropicAIRE-PHD2_condition
3D H(CCO)NHAIRE-PHD2-H2OisotropicAIRE-PHD2_condition
3D HCCH-TOCSYAIRE-PHD2-D2OisotropicAIRE-PHD2_condition
3D HNHA15N-PHD2_H2OisotropicAIRE-PHD2_condition
3D 1H-15N NOESY15N-PHD2_H2OisotropicAIRE-PHD2_condition
3D 1H-13C NOESYAIRE-PHD2-D2OisotropicAIRE-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

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts