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 16690

Title: Backbone 1H, 13C and 15N chemical shift assignments for the prolyl isomerase Ess1 from Candida albicans   PubMed: 20304107

Deposition date: 2010-01-22 Original release date: 2010-05-05

Authors: McNaughton, Lynn; Li, Zhong; Van Roey, Patrick; Hanes, Steven; LeMaster, David

Citation: McNaughton, Lynn; Li, Zhong; Van Roey, Patrick; Hanes, Steven; Lemaster, David. "Restricted domain mobility in the Candida albicans Ess1 prolyl isomerase."  Biochim. Biophys. Acta 1804, 1537-1541 (2010).

Assembly members:
C. albicans Ess1 prolyl isomerase, polymer, 180 residues, 19855 Da.

Natural source:   Common Name: Candida albicans   Taxonomy ID: 5476   Superkingdom: Eukaryota   Kingdom: Fungi   Genus/species: Candida albicans

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a

Entity Sequences (FASTA):
C. albicans Ess1 prolyl isomerase: GSHMASTSTGLPPNWTIRVS RSHNKEYFLNQSTNESSWDP PYGTDKEVLNAYIAKFKNNG YKPLVNEDGQVRVSHLLIKN NQSRKPKSWKSPDGISRTRD ESIQILKKHLERILSGEVKL SELANTESDCSSHDRGGDLG FFSKGQMQPPFEEAAFNLHV GEVSNIIETNSGVHILQRTG

Data sets:
Data typeCount
13C chemical shifts498
15N chemical shifts165
1H chemical shifts165

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1C. albicans Ess1 prolyl isomerase1

Entities:

Entity 1, C. albicans Ess1 prolyl isomerase 180 residues - 19855 Da.

The first three residues correspond to the residual sequence from the thrombin cleavage site

1   GLYSERHISMETALASERTHRSERTHRGLY
2   LEUPROPROASNTRPTHRILEARGVALSER
3   ARGSERHISASNLYSGLUTYRPHELEUASN
4   GLNSERTHRASNGLUSERSERTRPASPPRO
5   PROTYRGLYTHRASPLYSGLUVALLEUASN
6   ALATYRILEALALYSPHELYSASNASNGLY
7   TYRLYSPROLEUVALASNGLUASPGLYGLN
8   VALARGVALSERHISLEULEUILELYSASN
9   ASNGLNSERARGLYSPROLYSSERTRPLYS
10   SERPROASPGLYILESERARGTHRARGASP
11   GLUSERILEGLNILELEULYSLYSHISLEU
12   GLUARGILELEUSERGLYGLUVALLYSLEU
13   SERGLULEUALAASNTHRGLUSERASPCYS
14   SERSERHISASPARGGLYGLYASPLEUGLY
15   PHEPHESERLYSGLYGLNMETGLNPROPRO
16   PHEGLUGLUALAALAPHEASNLEUHISVAL
17   GLYGLUVALSERASNILEILEGLUTHRASN
18   SERGLYVALHISILELEUGLNARGTHRGLY

Samples:

sample_1: C. albicans Ess1 prolyl isomerase, [U-13C; U-15N], 0.5 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0.05 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

FELIX v2000, Accelrys Software Inc. - processing

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
EMBL CAX44676
GB AAK00626 EAK91142 EAK91153 EEQ42732 KGQ91706
REF XP_002417086 XP_710404 XP_710415

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