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Biological Magnetic Resonance Data Bank


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BMRB Entry 34131

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34131
MolProbity Validation Chart

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Title: Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6   PubMed: 29203888

Deposition date: 2017-05-06 Original release date: 2017-12-04

Authors: Russo, L.; Becker, S.; Griesinger, C.

Citation: Russo, L.; Giller, K.; Pfitzner, E.; Griesinger, C.; Becker, S.. "Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6"  Sci. Rep. 7, 16845-16845 (2017).

Assembly members:
entity_1, polymer, 132 residues, 14811.774 Da.
entity_2, polymer, 32 residues, 3452.837 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: GHMTGVESFMTKQDTTGKII SIDTSSLRAAGRTGWEDLVR KCIYAFFQPQGREPSYARQL FQEVMTRGTASSPSYRFILN DGTMLSAHTRCKLCYPQSPD MQPFIMGIHIIDREHSGLSP QDDTNSGMSIPR
entity_2: GTWIGEDIFPPLLPPTEQDL TKLLLEGQGESG

Data sets:
Data typeCount
13C chemical shifts645
15N chemical shifts164
1H chemical shifts1072

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 132 residues - 14811.774 Da.

1   GLYHISMETTHRGLYVALGLUSERPHEMET
2   THRLYSGLNASPTHRTHRGLYLYSILEILE
3   SERILEASPTHRSERSERLEUARGALAALA
4   GLYARGTHRGLYTRPGLUASPLEUVALARG
5   LYSCYSILETYRALAPHEPHEGLNPROGLN
6   GLYARGGLUPROSERTYRALAARGGLNLEU
7   PHEGLNGLUVALMETTHRARGGLYTHRALA
8   SERSERPROSERTYRARGPHEILELEUASN
9   ASPGLYTHRMETLEUSERALAHISTHRARG
10   CYSLYSLEUCYSTYRPROGLNSERPROASP
11   METGLNPROPHEILEMETGLYILEHISILE
12   ILEASPARGGLUHISSERGLYLEUSERPRO
13   GLNASPASPTHRASNSERGLYMETSERILE
14   PROARG

Entity 2, entity_2 32 residues - 3452.837 Da.

1   GLYTHRTRPILEGLYGLUASPILEPHEPRO
2   PROLEULEUPROPROTHRGLUGLNASPLEU
3   THRLYSLEULEULEUGLUGLYGLNGLYGLU
4   SERGLY

Samples:

sample_3: HEPES 50 mM; sodium chloride 150 mM; D2O 10%; STAT6 1 mM; NCoA1, [U-99% 13C; U-99% 15N], 0.7 mM

sample_4: HEPES 50 mM; sodium chloride 150 mM; D2O 10%; STAT6, [U-99% 15N], 1 mM; NCoA1 0.7 mM

sample_5: HEPES 50 mM; sodium chloride 150 mM; D2O 10%; STAT6 1 mM; NCoA1, [U-99% 15N], 0.7 mM

sample_6: HEPES 50 mM; sodium chloride 150 mM; D2O 10%; STAT6, [U-99% 15N], 1 mM

sample_7: HEPES 50 mM; sodium chloride 150 mM; D2O 100%; STAT6, [U-99% 13C; U-99% 15N], 1 mM; NCoA1 0.7 mM

sample_8: HEPES 50 mM; sodium chloride 150 mM; D2O 100%; STAT6 1 mM; NCoA1, [U-99% 13C; U-99% 15N], 0.7 mM

sample_1: HEPES 50 mM; sodium chloride 150 mM; D2O 10%; STAT6, [U-99% 13C; U-99% 15N], 1 mM

sample_2: HEPES 50 mM; sodium chloride 150 mM; D2O 10%; STAT6, [U-99% 13C; U-99% 15N], 1 mM; NCoA1 0.7 mM

sample_conditions_1: ionic strength: 150 mM; pH: 7.0; pressure: 1 atm; temperature: 309 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1not availablesample_conditions_1
2D 1H-13C HSQC aliphaticsample_1not availablesample_conditions_1
3D CBCA(CO)NHsample_1not availablesample_conditions_1
3D HNCAsample_1not availablesample_conditions_1
3D 1H-15N TOCSYsample_1not availablesample_conditions_1
3D 1H-15N NOESYsample_1not availablesample_conditions_1
2D 1H-15N HSQCsample_2not availablesample_conditions_1
2D 1H-13C HSQC aliphaticsample_2not availablesample_conditions_1
2D 1H-13C HSQC aromaticsample_2not availablesample_conditions_1
3D CBCA(CO)NHsample_2not availablesample_conditions_1
3D HNCOsample_2not availablesample_conditions_1
3D HNCAsample_2not availablesample_conditions_1
3D 1H-15N NOESYsample_2not availablesample_conditions_1
3D 1H-15N TOCSYsample_2not availablesample_conditions_1
3D 1H-15N TOCSYsample_3not availablesample_conditions_1
3D 1H-15N NOESYsample_3not availablesample_conditions_1
2D 1H-15N HSQCsample_3not availablesample_conditions_1
3D HNCACBsample_2not availablesample_conditions_1
3D HCCH-TOCSYsample_7not availablesample_conditions_1
3D HNHAsample_1not availablesample_conditions_1
3D HNHAsample_2not availablesample_conditions_1
3D 1H-13C NOESY aromaticsample_7not availablesample_conditions_1
3D 1H-13C NOESY aliphaticsample_7not availablesample_conditions_1
3D HNCAsample_3not availablesample_conditions_1
3D HNCOsample_3not availablesample_conditions_1
3D CBCA(CO)NHsample_3not availablesample_conditions_1
2D 1H-13C HSQC aromaticsample_3not availablesample_conditions_1
2D 1H-13C HSQC aliphaticsample_3not availablesample_conditions_1
3D HCCH-TOCSYsample_8not availablesample_conditions_1
3D HNHAsample_3not availablesample_conditions_1
3D 1H-13C NOESY aromaticsample_8not availablesample_conditions_1
3D 1H-13C NOESY aliphaticsample_8not availablesample_conditions_1
2D 1H-15N HSQCsample_5not availablesample_conditions_1
2D 1H-15N HSQCsample_4not availablesample_conditions_1
2D 1H-15N HSQCsample_6not availablesample_conditions_1
3D 1H,13C-edited/12C-filter NOESYsample_7not availablesample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

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

TOPSPIN, Bruker Biospin - collection

TALOS, Cornilescu, Delaglio and Bax - data analysis

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII 700 MHz
  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII 700 MHz
  • Bruker AvanceIII 800 MHz
  • Bruker AvanceIII 900 MHz

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