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 15492

Title: Backbone chemical shift assignment of a glutamate receptor ligand binding domain in complexes with five partial agonists   PubMed: 19636875

Deposition date: 2007-09-27 Original release date: 2008-01-25

Authors: Fenwick, Michael; Oswald, Robert

Citation: Fenwick, Michael; Oswald, Robert. "Backbone chemical shift assignment of a glutamate receptor ligand binding domain in complexes with five partial agonists"  Biomol. NMR Assignments 1, 241-243 (2007).

Assembly members:
S1S2, polymer, 263 residues, Formula weight is not available
2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, non-polymer, 199.164 Da.

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

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

Entity Sequences (FASTA):
S1S2: GANKTVVVTTILESPYVMMK KNHEMLEGNERYEGYCVDLA AEIAKHCGFKYKLTIVGDGK YGARDADTKIWNGMVGELVY GKADIAIAPLTITLVREEVI DFSKPFMSLGISIMIKKGTP IESAEDLSKQTEIAYGTLDS GSTKEFFRRSKIAVFDKMWT YMRSAEPSVFVRTTAEGVAR VRKSKGKYAYLLESTMNEYI EQRKPCDTMKVGGNLDSKGY GIATPKGSSLGNAVNLAVLK LNEQGLLDKLKNKWWYDKGE CGS

Data sets:
Data typeCount
13C chemical shifts498
1H chemical shifts250
15N chemical shifts250

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S1S21
2willardiine2

Entities:

Entity 1, S1S2 263 residues - Formula weight is not available

1   GLYALAASNLYSTHRVALVALVALTHRTHR
2   ILELEUGLUSERPROTYRVALMETMETLYS
3   LYSASNHISGLUMETLEUGLUGLYASNGLU
4   ARGTYRGLUGLYTYRCYSVALASPLEUALA
5   ALAGLUILEALALYSHISCYSGLYPHELYS
6   TYRLYSLEUTHRILEVALGLYASPGLYLYS
7   TYRGLYALAARGASPALAASPTHRLYSILE
8   TRPASNGLYMETVALGLYGLULEUVALTYR
9   GLYLYSALAASPILEALAILEALAPROLEU
10   THRILETHRLEUVALARGGLUGLUVALILE
11   ASPPHESERLYSPROPHEMETSERLEUGLY
12   ILESERILEMETILELYSLYSGLYTHRPRO
13   ILEGLUSERALAGLUASPLEUSERLYSGLN
14   THRGLUILEALATYRGLYTHRLEUASPSER
15   GLYSERTHRLYSGLUPHEPHEARGARGSER
16   LYSILEALAVALPHEASPLYSMETTRPTHR
17   TYRMETARGSERALAGLUPROSERVALPHE
18   VALARGTHRTHRALAGLUGLYVALALAARG
19   VALARGLYSSERLYSGLYLYSTYRALATYR
20   LEULEUGLUSERTHRMETASNGLUTYRILE
21   GLUGLNARGLYSPROCYSASPTHRMETLYS
22   VALGLYGLYASNLEUASPSERLYSGLYTYR
23   GLYILEALATHRPROLYSGLYSERSERLEU
24   GLYASNALAVALASNLEUALAVALLEULYS
25   LEUASNGLUGLNGLYLEULEUASPLYSLEU
26   LYSASNLYSTRPTRPTYRASPLYSGLYGLU
27   CYSGLYSER

Entity 2, willardiine - C7 H9 N3 O4 - 199.164 Da.

1   HWD

Samples:

sample_1: S1S2, [U-98% 13C; U-98% 15N; U-95% 2H], 0.25-0.35 mM; willardiine 12 mM; sodium chloride 25 mM; sodium acetate 25 mM; sodium azide 3 mM

sample_conditions_1: temperature: 298 K; pH: 5.0; pressure: 1 atm; ionic strength: 53.0 mM

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - peak picking, chemical shift assignment

NMR spectrometers:

  • Varian INOVA 500 MHz

Related Database Links:

BMRB 15493 15494 15495 15496
PDB
GB AAB03114 ABV25011 EAX04871
REF XP_010160138

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