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 16954

Title: Structure of the AML1-ETO Nervy Domain - PKA(RIIa) complex and its contribution to AML1-ETO activity   PubMed: 20708017

Deposition date: 2010-05-25 Original release date: 2010-08-19

Authors: Corpora, Takeshi; Cierpecki, Tomasz; Bushweller, John

Citation: Corpora, Takeshi; Roudaia, Liya; Oo, Zaw Min; Chen, Wei; Manuylova, Ekaterina; Cai, Xiongwei; Chen, Michael; Cierpicki, Tomasz; Speck, Nancy; Bushweller, John. "Structure of the AML1-ETO NHR3-PKA(RII) Complex and Its Contribution to AML1-ETO Activity."  J. Mol. Biol. 402, 560-577 (2010).

Assembly members:
PKA(RIIa), polymer, 50 residues, 5621.476 Da.
NHR3, polymer, 38 residues, 4184.758 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):
PKA(RIIa): GAMGSMSHIQIPPGLTELLQ GYTVEVLRQQPPDLVEFAVE YFTRLREARA
NHR3: AMADIGSASGYVPEEIWKKA EEAVNEVKRQAMTELQKA

Data sets:
Data typeCount
13C chemical shifts470
15N chemical shifts134
1H chemical shifts897

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PKA(RIIa) 11
2PKA(RIIa) 21
3NHR32

Entities:

Entity 1, PKA(RIIa) 1 50 residues - 5621.476 Da.

GAMGSMS is a vector artifact from the pHis-Parallel2 expression vector.

1   GLYALAMETGLYSERMETSERHISILEGLN
2   ILEPROPROGLYLEUTHRGLULEULEUGLN
3   GLYTYRTHRVALGLUVALLEUARGGLNGLN
4   PROPROASPLEUVALGLUPHEALAVALGLU
5   TYRPHETHRARGLEUARGGLUALAARGALA

Entity 2, NHR3 38 residues - 4184.758 Da.

AMADIGS is a vector artifact from the pET-32a expression vector.

1   ALAMETALAASPILEGLYSERALASERGLY
2   TYRVALPROGLUGLUILETRPLYSLYSALA
3   GLUGLUALAVALASNGLUVALLYSARGGLN
4   ALAMETTHRGLULEUGLNLYSALA

Samples:

CN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa): NHR3, [U-99% 13C; U-99% 15N], 2 mM; PKA(RIIa) 4 mM; NaPi 20 mM; EDTA 1 mM

CN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3: PKA(RIIa), [U-99% 13C; U-99% 15N], 4 mM; NHR3 2 mM; NaPi 20 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 0.0 M; pH: 4.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCCN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
3D CBCA(CO)NHCN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
3D HNCOCN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
3D HNCACBCN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
3D HCCH-TOCSYCN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
3D HNHACN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
3D H(CCO)NHCN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
3D 1H-15N NOESYCN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
3D 1H-13C NOESYCN-labelled_NHR3_in_complex_with_unlabelled_PKA(RIIa)isotropicsample_conditions_1
2D 1H-15N HSQCCN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1
3D CBCA(CO)NHCN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1
3D HNCOCN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1
3D HNCACBCN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1
3D HCCH-TOCSYCN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1
3D HNHACN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1
3D H(CCO)NHCN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1
3D 1H-15N NOESYCN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1
3D 1H-13C NOESYCN-labelled_PKA(RIIa)_in_complex_with_unlabelled_NHR3isotropicsample_conditions_1

Software:

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

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

SPARKY, Goddard - chemical shift assignment, peak picking

TALOS, Cornilescu, Delaglio and Bax - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho - data analysis

NMR spectrometers:

  • Varian Avance 600 MHz
  • Varian Avance 500 MHz

Related Database Links:

PDB
DBJ BAF85731 BAG73608 BAK63879 BAA03089 BAA03247 BAA03558 BAA06774 BAA07755
EMBL CAA33094 CAA67817 CAA56311 CAG33073
GB AAH02763 AAM97689 AAP35889 AAP36931 AAX29035 AAB34819 AAC28931 AAC28932 AAH05850 AAH67078
PRF 1506340A
REF NP_001266877 NP_004148 NP_062137 XP_003894514 XP_005075011 NP_001102127 NP_001104496 NP_001104497 NP_001185554 NP_001185555
SP P12368 P13861 Q06455 Q61909

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