BMRB Entry 26011

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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/BMR26011
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
Apo solution structure of Hop TPR2A
Deposition date:
2016-03-23
Original release date:
2017-03-23
Authors:
Darby, John; Vidler, Lewis; Simpson, Peter; Matthews, Steven; Sharp, Swee; Pearl, Laurence; Hoelder, Swen; Workman, Paul
Citation:

Citation: Darby, John; Vidler, Lewis; Simpson, Peter; Matthews, Steven; Sharp, Swee; Pearl, Laurence; Hoelder, Swen; Workman, Paul. "Solution structure of the Hop TPR 2A domain and validation of novel approaches to inhibitor indentification by NMR, biochemical and in silico screening"  .

Assembly members:

Assembly members:
entity, polymer, 139 residues, 15569.708 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pTWO-E

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GPHMASLPENKKQALKEKEL GNDAYKKKDFDTALKHYDKA KELDPTNMTYITNQAAVYFE KGDYNKCRELCEKAIEVGRE NREDYRQIAKAYARIGNSYF KEEKYKDAIHFYNKSLAEHR TPDVLKKCQQAEKILKEQE

Data sets:
Data typeCount
13C chemical shifts607
15N chemical shifts131
1H chemical shifts934

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 139 residues - 15569.708 Da.

1   GLYPROHISMETALASERLEUPROGLUASN
2   LYSLYSGLNALALEULYSGLULYSGLULEU
3   GLYASNASPALATYRLYSLYSLYSASPPHE
4   ASPTHRALALEULYSHISTYRASPLYSALA
5   LYSGLULEUASPPROTHRASNMETTHRTYR
6   ILETHRASNGLNALAALAVALTYRPHEGLU
7   LYSGLYASPTYRASNLYSCYSARGGLULEU
8   CYSGLULYSALAILEGLUVALGLYARGGLU
9   ASNARGGLUASPTYRARGGLNILEALALYS
10   ALATYRALAARGILEGLYASNSERTYRPHE
11   LYSGLUGLULYSTYRLYSASPALAILEHIS
12   PHETYRASNLYSSERLEUALAGLUHISARG
13   THRPROASPVALLEULYSLYSCYSGLNGLN
14   ALAGLULYSILELEULYSGLUGLNGLU

Samples:

sample_1: entity, [U-13C; U-15N], 1.5 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; sodium azide 0.01%

sample_2: entity, [U-13C; U-15N], 1.5 mM; sodium phosphate 20 mM; sodium chloride 50 mM; DTT 1 mM; sodium azide 0.01%

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
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCCO)NH-TOCSYsample_1isotropicsample_conditions_1
3D (H)C(CCO)NH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
2D (HB)CB(CGCD)H-TOCSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.1, Bruker Biospin - collection

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

ARIA, Linge, O'Donoghue and Nilges - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

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