BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 18001

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18001
MolProbity Validation Chart

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Title: 1H, 13C and 15N chemical shift assignments of the PPIase domain of human aryl-hydrocarbon receptor-interacting protein (AIP)   PubMed: 22287093

Deposition date: 2011-10-17 Original release date: 2012-02-01

Authors: Linnert, Miriam; Haupt, Katja; Lin, Yi-Jan; Kissing, Sandra; Paschke, Anne-Katrin; Fischer, Gunter; Weiwad, Matthias; Luecke, Christian

Citation: Linnert, Miriam; Haupt, Katja; Lin, Yi-Jan; Kissing, Sandra; Paschke, Anne-Katrin; Fischer, Gunter; Weiwad, Matthias; Luecke, Christian. "NMR assignments of the FKBP-type PPIase domain of the human aryl-hydrocarbon receptor-interacting protein (AIP)"  Biomol. NMR Assignments 6, 209-212 (2012).

Assembly members:
AIP, polymer, 165 residues, Formula weight is not available

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):
AIP: ADIIARLREDGIQKRVIQEG RGELPDFQDGTKATFHYRTL HSDDEGTVLDDSRARGKPME LIIGKKFKLPVWETIVCTMR EGEIAQFLCDIKHVVLYPLV AKSLRNIAVGKDPLEGQRHC CGVAQMREHSSLGHADLDAL QQNPQPLIFHMEMLKVESPG TYQQD

Data sets:
Data typeCount
13C chemical shifts738
15N chemical shifts163
1H chemical shifts1172

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AIP1

Entities:

Entity 1, AIP 165 residues - Formula weight is not available

The N-terminal residue Met1 is missing; the assignments thus start with Ala2

1   ALAASPILEILEALAARGLEUARGGLUASP
2   GLYILEGLNLYSARGVALILEGLNGLUGLY
3   ARGGLYGLULEUPROASPPHEGLNASPGLY
4   THRLYSALATHRPHEHISTYRARGTHRLEU
5   HISSERASPASPGLUGLYTHRVALLEUASP
6   ASPSERARGALAARGGLYLYSPROMETGLU
7   LEUILEILEGLYLYSLYSPHELYSLEUPRO
8   VALTRPGLUTHRILEVALCYSTHRMETARG
9   GLUGLYGLUILEALAGLNPHELEUCYSASP
10   ILELYSHISVALVALLEUTYRPROLEUVAL
11   ALALYSSERLEUARGASNILEALAVALGLY
12   LYSASPPROLEUGLUGLYGLNARGHISCYS
13   CYSGLYVALALAGLNMETARGGLUHISSER
14   SERLEUGLYHISALAASPLEUASPALALEU
15   GLNGLNASNPROGLNPROLEUILEPHEHIS
16   METGLUMETLEULYSVALGLUSERPROGLY
17   THRTYRGLNGLNASP

Samples:

sample_1: AIP 2 mM; sodium phosphate 10 mM; DTT 5 mM; sodium azide 0.05 mM; H2O 95%; D2O 5%

sample_2: AIP, [U-15N], 2 mM; sodium phosphate 10 mM; DTT 5 mM; sodium azide 0.05 mM; H2O 95%; D2O 5%

sample_3: AIP, [U-13C; U-15N], 2 mM; sodium phosphate 10 mM; DTT 5 mM; sodium azide 0.05 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 10 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-15N TROSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_3isotropicsample_conditions_1
3D HNCAsample_3isotropicsample_conditions_1
3D HNCACBsample_3isotropicsample_conditions_1
3D HNCOsample_3isotropicsample_conditions_1
3D CC(CO)NHsample_3isotropicsample_conditions_1
3D H(CC)(CO)NHsample_3isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D CCH-TOCSYsample_3isotropicsample_conditions_1
3D HN(CA)COsample_3isotropicsample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection, processing

FELIX, Accelrys Software Inc. - data analysis

NMR spectrometers:

  • Bruker DRX 500 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
DBJ BAI47367
EMBL CAJ85657
GB AAB39923 AAB59004 AAD13759 AAI04798 AAI04828
REF NP_001181242 NP_001289888 NP_001289889 NP_003968 XP_002755632
SP O00170 O97628

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