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 18750

Title: Chemical shift of E coli. IscU Prolyl residues in S-states   PubMed: 23110687

Deposition date: 2012-10-01 Original release date: 2013-02-12

Authors: Dai, Ziqi; Tonelli, Marco; Markley, John

Citation: Dai, Ziqi; Tonelli, Marco; Markley, John. "Metamorphic Protein IscU Changes Conformation by cis-trans Isomerizations of Two Peptidyl-Prolyl Peptide Bonds."  Biochemistry 51, 9595-9602 (2012).

Assembly members:
IscU, polymer, 128 residues, Formula weight is not available
ZINC ION, non-polymer, 65.409 Da.

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
IscU: MAYSEKVIDHYENPRNVGSF DNNDENVGSGMVGAPACGDV MKLQIKVNDEGIIEDARFKT YGCGSAIASSSLVTEWVKGK SLDEAQAIKNTDIAEELELP PVKIHCSILAEDAIKAAIAD YKSKREAK

Data sets:
Data typeCount
13C chemical shifts16
15N chemical shifts2
1H chemical shifts25

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1S-state1
2Zinc ion2

Entities:

Entity 1, S-state 128 residues - Formula weight is not available

1   METALATYRSERGLULYSVALILEASPHIS
2   TYRGLUASNPROARGASNVALGLYSERPHE
3   ASPASNASNASPGLUASNVALGLYSERGLY
4   METVALGLYALAPROALACYSGLYASPVAL
5   METLYSLEUGLNILELYSVALASNASPGLU
6   GLYILEILEGLUASPALAARGPHELYSTHR
7   TYRGLYCYSGLYSERALAILEALASERSER
8   SERLEUVALTHRGLUTRPVALLYSGLYLYS
9   SERLEUASPGLUALAGLNALAILELYSASN
10   THRASPILEALAGLUGLULEUGLULEUPRO
11   PROVALLYSILEHISCYSSERILELEUALA
12   GLUASPALAILELYSALAALAILEALAASP
13   TYRLYSSERLYSARGGLUALALYS

Entity 2, Zinc ion - Zn - 65.409 Da.

1   ZN

Samples:

13C-15N-Pro: IscU, [U-13C; U-15N]-Pro, 1 – 5 mM; Zinc ion1 – 5 mM; D2O 10%; DSS 50 uM; EDTA 0.5 mM; DTT 5 mM; sodium azide 50 uM

with_Zn: ionic strength: 1 mM; pH: 8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQC13C-15N-Proisotropicwith_Zn
3D HCCH-TOCSY13C-15N-Proisotropicwith_Zn
3D 1H-13C NOESY aliphatic13C-15N-Proisotropicwith_Zn

Software:

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

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 900 MHz

Related Database Links:

BMRB 15967 16245 16603 17282 17836 17837 17844 18359 18360 18361 18362 18381 18754
PDB
DBJ BAA16423 BAB36818 BAG78339 BAH64655 BAI26774
EMBL CAD02745 CAP76981 CAQ32902 CAQ88187 CAQ99420
GB AAC75582 AAG57643 AAL21436 AAN44075 AAN81505
PIR AE0824
REF NP_311422 NP_417024 NP_457073 NP_461477 NP_708368
SP P0ACD4 P0ACD5 P0ACD6 P0ACD7