BMRB Entry 15974

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15974

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Title:
Chemical shifts of the b-b'-x region of human protein disulfide isomerase
Deposition date:
2008-10-06
Original release date:
2009-07-17
Authors:
Byrne, Lee; Howard, Mark; Williamson, Richard; Sidhu, Ateesh; Freedman, Robert; Wallis, Katrine
Citation:

Citation: Byrne, Lee; Sidhu, Ateesh; Wallis, A. Katrine; Ruddock, Lloyd; Freedman, Robert; Howard, Mark; Williamson, Richard. "Mapping of the ligand-binding site on the b' domain of human PDI: interaction with peptide ligands and the x-linker region."  Biochem. J. 423, 209-217 (2009).
PubMed: 19604149

Assembly members:

Assembly members:
b-b'-x, polymer, 236 residues, 26645.1 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: pET23

Entity Sequences (FASTA):

Entity Sequences (FASTA):
b-b'-x: GPAATTLPDGAAAESLVESS EVAVIGFFKDVESDSAKQFL QAAEAIDDIPFGITSNSDVF SKYQLDKDGVVLFKKFDEGR NNFEGEVTKENLLDFIKHNQ LPLVIEFTEQTAPKIFGGEI KTHILLFLPKSVSDYDGKLS NFKTAAESFKGKILFIFIDS DHTDNQRILEFFGLKKEECP AVRLITLEEEMTKYKPESEE LTAERITEFCHRFLEGKIKP HLMSQELPEDWDKQPV

Data sets:
Data typeCount
13C chemical shifts190
15N chemical shifts215
1H chemical shifts218

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1b-b'-x1

Entities:

Entity 1, b-b'-x 236 residues - 26645.1 Da.

Mature human PDI sequence numbering

1   GLYPROALAALATHRTHRLEUPROASPGLY
2   ALAALAALAGLUSERLEUVALGLUSERSER
3   GLUVALALAVALILEGLYPHEPHELYSASP
4   VALGLUSERASPSERALALYSGLNPHELEU
5   GLNALAALAGLUALAILEASPASPILEPRO
6   PHEGLYILETHRSERASNSERASPVALPHE
7   SERLYSTYRGLNLEUASPLYSASPGLYVAL
8   VALLEUPHELYSLYSPHEASPGLUGLYARG
9   ASNASNPHEGLUGLYGLUVALTHRLYSGLU
10   ASNLEULEUASPPHEILELYSHISASNGLN
11   LEUPROLEUVALILEGLUPHETHRGLUGLN
12   THRALAPROLYSILEPHEGLYGLYGLUILE
13   LYSTHRHISILELEULEUPHELEUPROLYS
14   SERVALSERASPTYRASPGLYLYSLEUSER
15   ASNPHELYSTHRALAALAGLUSERPHELYS
16   GLYLYSILELEUPHEILEPHEILEASPSER
17   ASPHISTHRASPASNGLNARGILELEUGLU
18   PHEPHEGLYLEULYSLYSGLUGLUCYSPRO
19   ALAVALARGLEUILETHRLEUGLUGLUGLU
20   METTHRLYSTYRLYSPROGLUSERGLUGLU
21   LEUTHRALAGLUARGILETHRGLUPHECYS
22   HISARGPHELEUGLUGLYLYSILELYSPRO
23   HISLEUMETSERGLNGLULEUPROGLUASP
24   TRPASPLYSGLNPROVAL

Samples:

sample_1: b-b'-x, [U-99% 13C; U-99% 15N], 10%; D2O 10%; sodium phosphate 20 mM; sodium chloride 150 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 6.5; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

CCPN_Analysis v1.15, CCPN - chemical shift assignment, data analysis, peak picking

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

VNMR, Varian - collection

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15303 15998
PDB
DBJ BAE79726 BAE87231 BAE88032 BAG37999 BAG60277
EMBL CAA28775 CAH93050
GB AAA61169 AAC13652 AAH10859 AAH29617 AAH71892
REF NP_000909 NP_001126805 NP_001233358 XP_002764185 XP_003282223
SP P07237 Q2HWU2 Q5R5B6
AlphaFold P07237 Q2HWU2 Q5R5B6

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