BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 11080

Title: 3D structure of Pin from the psychrophilic archeon Cenarcheaum symbiosum (CsPin)   PubMed: 21138844

Authors: Zhukov, Igor; Jaremko, Lukasz; Jaremko, Mariusz

Citation: Jaremko, ukasz; Jaremko, Mariusz; Elfaki, Imadeldin; Mueller, Jonathan; Ejchart, Andrzej; Bayer, Peter; Zhukov, Igor. "Structure and dynamics of the first archaeal parvulin reveal a new functionally important loop in parvulin-type prolyl isomerases."  J. Biol. Chem. 286, 6554-6565 (2011).

Assembly members:
CsPin, polymer, 97 residues, Formula weight is not available

Natural source:   Common Name: Cenarchaeum symbiosum A   Taxonomy ID: 414004   Superkingdom: Archaea   Kingdom: not available   Genus/species: Cenarchaeum symbiosum

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

Entity Sequences (FASTA):
CsPin: GPMGSMADKIKCSHILVKKQ GEALAVQERLKAGEKFGKLA KELSIDGGSAKRDGSLGYFG RGKMVKPFEDAAFRLQVGEV SEPVKSEFGYHVIKRLG

Data sets:
Data typeCount
13C chemical shifts327
15N chemical shifts90
1H chemical shifts660
heteronuclear NOE values74
order parameters74
T1 relaxation values160
T2 relaxation values160

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CsPin1

Entities:

Entity 1, CsPin 97 residues - Formula weight is not available

residues 1-5 non-native affinity tag

1   GLYPROMETGLYSERMETALAASPLYSILE
2   LYSCYSSERHISILELEUVALLYSLYSGLN
3   GLYGLUALALEUALAVALGLNGLUARGLEU
4   LYSALAGLYGLULYSPHEGLYLYSLEUALA
5   LYSGLULEUSERILEASPGLYGLYSERALA
6   LYSARGASPGLYSERLEUGLYTYRPHEGLY
7   ARGGLYLYSMETVALLYSPROPHEGLUASP
8   ALAALAPHEARGLEUGLNVALGLYGLUVAL
9   SERGLUPROVALLYSSERGLUPHEGLYTYR
10   HISVALILELYSARGLEUGLY

Samples:

sample_1: CsPin, [U-100% 13C; U-100% 15N], 0.6 ± 0.2 mM; TRIS 20 mM; DTT 3 mM; NaCl 50 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 7.5; pressure: 1 atm; temperature: 289 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQC No.2sample_1isotropicsample_conditions_1
2D 1H-15N HSQC No.3sample_1isotropicsample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization, refinement, structure solution

SPARKY v3.114, Goddard - data analysis, peak picking

NMR spectrometers:

  • Varian VNMRS 800 MHz
  • Varian Unity+ 500 MHz
  • Varian VNMRS 700 MHz

Related Database Links:

BMRB 18864
PDB
GB AAC62692 ABK77807