BMRB Entry 19258

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19258
MolProbity Validation Chart

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Title:
Pin1 WW domain
Deposition date:
2013-05-22
Original release date:
2014-09-08
Authors:
Luh, Laura; Kirchner, Donata; Loehr, Frank; Haensel, Robert; Doetsch, Volker
Citation:

Citation: Luh, Laura; Kirchner, Donata; Loehr, Frank; Haensel, Robert; Doetsch, Volker. "In-cell NMR characterization of the secondary structure populations of a disordered conformation of -synuclein within E. coli cells."  PLoS ONE 8, e72286-e72286 (2013).
PubMed: 23991082

Assembly members:

Assembly members:
entity, polymer, 43 residues, 5043.613 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: pET29b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: GLEHMADEEKLPPGWEKRMS RSSGRVYYFNHITNASQWER PSG

Data sets:
Data typeCount
1H chemical shifts272
13C chemical shifts182
15N chemical shifts37

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 43 residues - 5043.613 Da.

1   GLYLEUGLUHISMETALAASPGLUGLULYS
2   LEUPROPROGLYTRPGLULYSARGMETSER
3   ARGSERSERGLYARGVALTYRTYRPHEASN
4   HISILETHRASNALASERGLNTRPGLUARG
5   PROSERGLY

Samples:

sample_1: entity mM; HEPES 25 mM; sodium chloride 50 mM; DTT 1 mM

sample_conditions_1: temperature: 291 K; pH: 7.5; pressure: 1 atm; ionic strength: 0.05 M

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection, processing

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - data analysis

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz

Related Database Links:

BMRB 16070 16088 17545 19259 25569
PDB
DBJ BAA87037 BAA87038 BAB22270 BAB22743 BAC35631
EMBL CAG28582
GB AAC50492 AAF43897 AAH02899 AAH38254 AAH77447
PRF 2209428A
REF NP_001029804 NP_001084236 NP_001100171 NP_001231300 NP_001270625
SP Q13526 Q4R383 Q5BIN5 Q9QUR7
TPG DAA28013
AlphaFold Q13526 Q4R383 Q5BIN5 Q9QUR7

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