BMRB Entry 18473

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18473

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Title:
1H, 13C, and 15N resonance assignment of mouse lipocalin-type prostaglandin D synthase/substrate analog complex.
Deposition date:
2012-05-18
Original release date:
2012-06-18
Authors:
Shimamoto, Shigeru; Ohkubo, Tadayasu
Citation:

Citation: Shimamoto, Shigeru; Maruo, Hiroko; Yoshida, Takuya; Ohkubo, Tadayasu. "H, 13C, and 15N resonance assignments of mouse lipocalin-type prostaglandin D synthase/substrate analog complex."  Biomol. NMR Assignments 8, 129-132 (2014).
PubMed: 23361378

Assembly members:

Assembly members:
lipocalin-type_prostaglandin_D_synthase, polymer, 167 residues, Formula weight is not available
(5E)-7-{6-[(1E)-3-HYDROXYOCT-1-ENYL]-2-OXABICYCLO[2.2.1]HEPT-5-YL}HEPT-5-ENOIC ACID, non-polymer, 350.492 Da.

Natural source:

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-2T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
lipocalin-type_prostaglandin_D_synthase: GSQGHDTVQPNFQQDKFLGR WYSAGLASNSSWFREKKAVL YMCKTVVAPSTEGGLNLTST FLRKNQAETKIMVLQPAGAP GHYTYSSPHSGSIHSVSVVE ANYDEYALLFSRGTKGPGQD FRMATLYSRTQTLKDELKEK FTTFSKAQGLTEEDIVFLPQ PDKAIQE

Data sets:
Data typeCount
13C chemical shifts432
15N chemical shifts143
1H chemical shifts819

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1L-PGDS1
2U-466192

Entities:

Entity 1, L-PGDS 167 residues - Formula weight is not available

1   GLYSERGLNGLYHISASPTHRVALGLNPRO
2   ASNPHEGLNGLNASPLYSPHELEUGLYARG
3   TRPTYRSERALAGLYLEUALASERASNSER
4   SERTRPPHEARGGLULYSLYSALAVALLEU
5   TYRMETCYSLYSTHRVALVALALAPROSER
6   THRGLUGLYGLYLEUASNLEUTHRSERTHR
7   PHELEUARGLYSASNGLNALAGLUTHRLYS
8   ILEMETVALLEUGLNPROALAGLYALAPRO
9   GLYHISTYRTHRTYRSERSERPROHISSER
10   GLYSERILEHISSERVALSERVALVALGLU
11   ALAASNTYRASPGLUTYRALALEULEUPHE
12   SERARGGLYTHRLYSGLYPROGLYGLNASP
13   PHEARGMETALATHRLEUTYRSERARGTHR
14   GLNTHRLEULYSASPGLULEULYSGLULYS
15   PHETHRTHRPHESERLYSALAGLNGLYLEU
16   THRGLUGLUASPILEVALPHELEUPROGLN
17   PROASPLYSALAILEGLNGLU

Entity 2, U-46619 - C21 H34 O4 - 350.492 Da.

1   U46

Samples:

sample_1: L-PGDS, [U-99% 13C; U-99% 15N], 1.0 mM; U-46619(Prostaglandin H2 analog) 1.5 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 300.5 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 10137 11062
PDB
DBJ BAA74461 BAE20833
EMBL CAA61506 CAA71226
GB AAH38083 AAH43015 EDL08248 EDL08250 EDL08251
REF NP_032989 XP_006497849 XP_006497850
SP O09114
AlphaFold O09114

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CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks