BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 27579

Title: Full Length Apo Pin1   PubMed: 30353504

Deposition date: 2018-08-15 Original release date: 2018-10-24

Authors: Born, Alexandra; Vogeli, Beat; Bayer, Peter; Tate, Shin Ichi; Nichols, Parker; Henen, Morkos; Strotz, Dean

Citation: Born, Alexandra; Nichols, Parker; Henen, Morkos; Chi, Celestine; Strotz, Dean; Bayer, Peter; Tate, Shin-Ichi; Peng, Jeffrey; Vogeli, Beat. "Backbone and side-chain chemical shift assignments of full-length, apo, human Pin1, a phosphoprotein regulator with interdomain allostery"  Biomol. NMR Assignments 13, 85-89 (2019).

Assembly members:
Pin1, polymer, 163 residues, Formula weight is not available

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

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

Entity Sequences (FASTA):
Pin1: MADEEKLPPGWEKRMSRSSG RVYYFNHITNASQWERPSGN SSSGGKNGQGEPARVRCSHL LVKHSQSRRPSSWRQEKITR TKEEALELINGYIQKIKSGE EDFESLASQFSDCSSAKARG DLGAFSRGQMQKPFEDASFA LRTGEMSGPVFTDSGIHIIL RTE

Data sets:
Data typeCount
13C chemical shifts545
15N chemical shifts168
1H chemical shifts1088

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Pin11

Entities:

Entity 1, Pin1 163 residues - Formula weight is not available

1   METALAASPGLUGLULYSLEUPROPROGLY
2   TRPGLULYSARGMETSERARGSERSERGLY
3   ARGVALTYRTYRPHEASNHISILETHRASN
4   ALASERGLNTRPGLUARGPROSERGLYASN
5   SERSERSERGLYGLYLYSASNGLYGLNGLY
6   GLUPROALAARGVALARGCYSSERHISLEU
7   LEUVALLYSHISSERGLNSERARGARGPRO
8   SERSERTRPARGGLNGLULYSILETHRARG
9   THRLYSGLUGLUALALEUGLULEUILEASN
10   GLYTYRILEGLNLYSILELYSSERGLYGLU
11   GLUASPPHEGLUSERLEUALASERGLNPHE
12   SERASPCYSSERSERALALYSALAARGGLY
13   ASPLEUGLYALAPHESERARGGLYGLNMET
14   GLNLYSPROPHEGLUASPALASERPHEALA
15   LEUARGTHRGLYGLUMETSERGLYPROVAL
16   PHETHRASPSERGLYILEHISILEILELEU
17   ARGTHRGLU

Samples:

sample_1: Pin1, [U-99% 13C; U-99% 15N], 2 mM; D2O 3%; DTT 5 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 0.03%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; 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 HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1

Software:

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

CcpNMR_Analysis, CCPN - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 900 MHz

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