BMRB Entry 16682

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16682
MolProbity Validation Chart

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Title:
Lipocalin Q83 is a Siderocalin
Deposition date:
2010-01-18
Original release date:
2010-10-18
Authors:
Coudevylle, Nicolas; Geist, Leonhard; Hartl, Markus; Kontaxis, Georg; Bister, Klaus; Konrat, Robert
Citation:

Citation: Coudevylle, Nicolas; Geist, Leonhard; Hotzinger, Matthias; Hartl, Markus; Kontaxis, Georg; Bister, Klaus; Konrat, Robert. "The v-myc-induced Q83 lipocalin is a siderocalin."  J. Biol. Chem. 285, 41646-41652 (2010).
PubMed: 20826777

Assembly members:

Assembly members:
Q83, polymer, 157 residues, Formula weight is not available
EB4, non-polymer, 669.546 Da.
GA, non-polymer, 69.723 Da.

Natural source:

Natural source:   Common Name: common quail   Taxonomy ID: 9091   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Coturnix coturnix

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET3d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Q83: MTVPDRSEIAGKWYVVALAS NTEFFLREKDKMKMAMARIS FLGEDELKVSYAVPKPNGCR KWETTFKKTSDDGEVYYSEE AKKKVEVLDTDYKSYAVIYA TRVKDGRTLHMMRLYSRSPE VSPAATAIFRKLAGERNYTD EMVAMLPRQEECTVDEV

Data sets:
Data typeCount
13C chemical shifts554
15N chemical shifts137
1H chemical shifts667

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Q831
2Enterobactin2
3Gallium3

Entities:

Entity 1, Q83 157 residues - Formula weight is not available

1   METTHRVALPROASPARGSERGLUILEALA
2   GLYLYSTRPTYRVALVALALALEUALASER
3   ASNTHRGLUPHEPHELEUARGGLULYSASP
4   LYSMETLYSMETALAMETALAARGILESER
5   PHELEUGLYGLUASPGLULEULYSVALSER
6   TYRALAVALPROLYSPROASNGLYCYSARG
7   LYSTRPGLUTHRTHRPHELYSLYSTHRSER
8   ASPASPGLYGLUVALTYRTYRSERGLUGLU
9   ALALYSLYSLYSVALGLUVALLEUASPTHR
10   ASPTYRLYSSERTYRALAVALILETYRALA
11   THRARGVALLYSASPGLYARGTHRLEUHIS
12   METMETARGLEUTYRSERARGSERPROGLU
13   VALSERPROALAALATHRALAILEPHEARG
14   LYSLEUALAGLYGLUARGASNTYRTHRASP
15   GLUMETVALALAMETLEUPROARGGLNGLU
16   GLUCYSTHRVALASPGLUVAL

Entity 2, Enterobactin - C30 H27 N3 O15 - 669.546 Da.

1   EB4

Entity 3, Gallium - Ga - 69.723 Da.

1   GA

Samples:

sample_1: Q83, [U-95% 13C; U-95% 15N], 1 mM; Enterobactin 1 mM; Gallium 1 mM; DTT 0.5 mM; potassium phosphate 20 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 70 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
IPAPsample_1anisotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

BMRB 17577 4664
PDB
GB AAF35894 AAK31634
SP Q9I9P7
AlphaFold Q9I9P7

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks