BMRB Entry 15628

Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15628

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Title:
Solution structure of S. aureus PrsA-PPIase
Deposition date:
2008-01-21
Original release date:
2009-04-01
Authors:
Seppala, Raili; Tossavainen, Helena; Heikkinen, Sami; Koskela, Harri; Kontinen, Vesa; Permi, Perttu
Citation:

Citation: Heikkinen, Outi; Seppala, Raili; Tossavainen, Helena; Heikkinen, Sami; Koskela, Harri; Permi, Perttu; Kilpelainen, Ilkka. "Solution structure of the parvulin-type PPIase domain of Staphylococcus aureus PrsA--implications for the catalytic mechanism of parvulins."  BMC Struct. Biol. 9, 17-17 (2009).
PubMed: 19309529

Assembly members:

Assembly members:
PrsA-PPIase, polymer, 111 residues, 12216.032 Da.

Natural source:

Natural source:   Common Name: Staphylococcus aureus   Taxonomy ID: 1280   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pGEX-2T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PrsA-PPIase: GPLGSDSKKASHILIKVKSK KSDKEGLDDKEAKQKAEEIQ KEVSKDPSKFGEIAKKESMD TGSAKKDGELGYVLKGQTDK DFEKALFKLKDGEVSEVVKS SFGYHIIKADK

Data sets:
Data typeCount
13C chemical shifts484
15N chemical shifts110
1H chemical shifts785

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PrsA-PPIase1

Entities:

Entity 1, PrsA-PPIase 111 residues - 12216.032 Da.

GPLGS - cloning artifact

1   GLYPROLEUGLYSERASPSERLYSLYSALA
2   SERHISILELEUILELYSVALLYSSERLYS
3   LYSSERASPLYSGLUGLYLEUASPASPLYS
4   GLUALALYSGLNLYSALAGLUGLUILEGLN
5   LYSGLUVALSERLYSASPPROSERLYSPHE
6   GLYGLUILEALALYSLYSGLUSERMETASP
7   THRGLYSERALALYSLYSASPGLYGLULEU
8   GLYTYRVALLEULYSGLYGLNTHRASPLYS
9   ASPPHEGLULYSALALEUPHELYSLEULYS
10   ASPGLYGLUVALSERGLUVALVALLYSSER
11   SERPHEGLYTYRHISILEILELYSALAASP
12   LYS

Samples:

sample_1: PrsA-PPIase, [U-15N], 0.3 mM; Bis-TRIS 20 mM; sodium azide 1 mM; EDTA 1 mM

sample_2: PrsA-PPIase, [U-15N], 1 mM; Bis-TRIS 20 mM; sodium azide 1 mM; EDTA 1 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D iHNCAsample_1isotropicsample_conditions_1
3D 1H-13C NOESY (AROM)sample_1isotropicsample_conditions_1
(H )C (C C )Hsample_1isotropicsample_conditions_1
(H )C (C C C )Hsample_1isotropicsample_conditions_1
J(CN) intensity modulated constant time 13C-HSQCsample_1isotropicsample_conditions_1
3D R1 resolved 1H-15N-HSQCsample_2isotropicsample_conditions_1
3D R2 resolved 1H-15N-HSQCsample_2isotropicsample_conditions_1
exchange rate resolved 1H-15N-HSQCsample_2isotropicsample_conditions_1

Software:

VNMR v6.1C, Varian - collection, processing

SPARKY v3.110, Goddard - chemical shift assignment, data analysis, peak picking

TALOS v2003.027.13.05, Cornilescu, Delaglio and Bax - data analysis

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER v8.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

ProcheckNMR, Laskowski and MacArthur - quality control

What_check, Vriend - quality control

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 500 MHz
  • Bruker DRX 500 MHz

Related Database Links:

PDB
DBJ BAB42927 BAB58003 BAB95647 BAF68005 BAF78709
EMBL CAG40919 CAG43567 CAI81463 CAQ50323 CBI49709
GB AAW36910 ABD22844 ABD31031 ABQ49679 ABR52762
REF WP_000295838 WP_000315644 WP_000782118 WP_000782119 WP_000782120
SP A6QI23 A6U2U4 A7X3U8 A8YY10 P60747
AlphaFold A6QI23 A6U2U4 A7X3U8 A8YY10 P60747

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