BMRB Entry 16603

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16603
MolProbity Validation Chart

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Title:
Solution Structure of apo-IscU
Deposition date:
2009-11-10
Original release date:
2012-08-29
Authors:
Kim, Jin Hae; Fuzery, Anna; Tonelli, Marco; Vickery, Larry; Markley, John
Citation:

Citation: Kim, Jin Hae; Tonelli, Marco; Kim, Taewook; Markley, John. "Three-dimensional structure and determinants of stability of the iron-sulfur cluster scaffold protein IscU from Escherichia coli."  Biochemistry 51, 5557-5563 (2012).
PubMed: 22734684

Assembly members:

Assembly members:
IscU, polymer, 128 residues, 13716 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pTrc99a

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
13C chemical shifts457
15N chemical shifts111
1H chemical shifts753
residual dipolar couplings62

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1IscU1

Entities:

Entity 1, IscU 128 residues - 13716 Da.

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

Samples:

sample_1: IscU, [U-15N], 0.8 mM; TRIS 20 mM; DSS 0.7 mM; DTT 5 mM; sodium chloride 150 mM; EDTA 0.5 mM; sodium azide 0.02%; H2O 93%; D2O 7%

sample_2: IscU, [U-13C; U-15N], 2.0 mM; TRIS 20 mM; DSS 0.7 mM; DTT 5 mM; sodium chloride 150 mM; EDTA 0.5 mM; sodium azide 0.02%; H2O 93%; D2O 7%

sample_3: IscU, [U-13C; U-15N], 1.3 mM; TRIS 20 mM; DSS 0.7 mM; DTT 5 mM; EDTA 0.5 mM; sodium chloride 150 mM; sodium azide 0.02%; Pf1 phage 3.9 mg; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0.15 M; pH: 8.0; 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_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HNCOsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
2D 1H-15N IPAP-HSQCsample_3anisotropicsample_conditions_1

Software:

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

CYANA_3.0_intel v3.0_intel, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

VNMRJ, Varian - collection

ATHNOS-CANDID, Herrmann, T. - data analysis

xwinnmr, Bruker Biospin - collection

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz
  • Bruker DMX 750 MHz

Related Database Links:

BMRB 15967 16245 17282 17836 17837 17844 18359 18360 18361 18362 18381 18750 18754
PDB
DBJ BAA16423 BAB36818 BAG78339 BAI26774 BAI31803
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
AlphaFold P0ACD4 P0ACD5 P0ACD6 P0ACD7

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