BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 19643

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19643
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Title: NMR Solution State Structure of the PSD-95 PDZ1 - 5-HT2c Complex

Deposition date: 2013-11-29 Original release date: 2014-02-04

Authors: Dorr, Liam; Phelan, Marie; Lian, Lu-Yun

Citation: Dorr, Liam; Phelan, Marie; Lian, Lu-Yun. "Interactions of the 5-Hydroxytryptamine Receptor 2a and 2c Variants with the PSD-MAGUK proteins, PSD-95 and SAP997"  Not known ., .-..

Assembly members:
entity_1, polymer, 99 residues, 10622.056 Da.
entity_2, polymer, 9 residues, 976.115 Da.

Natural source:   Common Name: Norway 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):
entity_1: GAMEMEYEEITLERGNSGLG FSIAGGTDNPHIGDDPSIFI TKIIPGGAAAQDGRLRVNDS ILFVNEVDVREVTHSAAVEA LKEAGSIVRLYVMRRKPPA
entity_2: VVSERISSV

Data sets:
Data typeCount
13C chemical shifts296
15N chemical shifts90
1H chemical shifts665

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 99 residues - 10622.056 Da.

1   GLYALAMETGLUMETGLUTYRGLUGLUILE
2   THRLEUGLUARGGLYASNSERGLYLEUGLY
3   PHESERILEALAGLYGLYTHRASPASNPRO
4   HISILEGLYASPASPPROSERILEPHEILE
5   THRLYSILEILEPROGLYGLYALAALAALA
6   GLNASPGLYARGLEUARGVALASNASPSER
7   ILELEUPHEVALASNGLUVALASPVALARG
8   GLUVALTHRHISSERALAALAVALGLUALA
9   LEULYSGLUALAGLYSERILEVALARGLEU
10   TYRVALMETARGARGLYSPROPROALA

Entity 2, entity_2 9 residues - 976.115 Da.

1   VALVALSERGLUARGILESERSERVAL

Samples:

sample_1: entity_1, [U-13C; U-15N], 0.5 mM; entity_2 2.5 mM; DTT 1 mM; sodium azide 0.01 w/v; sodium phosphate 20 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 20 mM; pH: 6.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HBHANHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
1-D 13C 15N-filtered 1Hsample_1isotropicsample_conditions_1
2D 1H-13C HSQC HBCBCGCDHDsample_1isotropicsample_conditions_1
2D 13C TROSYsample_1isotropicsample_conditions_1
2D 13C-15N F1-filtered NOESY-HSQCsample_1isotropicsample_conditions_1
2D 13C-15N F1-filtered TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSY aliphaticsample_1isotropicsample_conditions_1
3D HCCH-TOCSY aromaticsample_1isotropicsample_conditions_1
3D 13C,15 F1-filtered 13C F3-edited NOESY-HSQC aliphaticsample_1isotropicsample_conditions_1
3D 13C,15 F1-filtered 13C F3-edited NOESY-HSQC aromaticsample_1isotropicsample_conditions_1
3D 13C,15 F1-filtered 15N F3-edited NOESY-HSQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.1, Bruker Biospin - collection, processing

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, structure solution

CCPN_Analysis v2.1, CCPN - chemical shift assignment, data analysis, peak picking, processing

DANGLE, Cheung et al, 2010, Journal of Magnetic Resonance, 202, 2: 223-233 - Dihedral angle calculation

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

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