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 6362

Title: Solution structure of Iron-Sulfur cluster assembly protein IscU from Bacillus subtilis, with Zinc bound at the active site. Northeast Structural Genomics Consortium Target SR17   PubMed: 15522305

Deposition date: 2004-10-27 Original release date: 2005-11-07

Authors: Kornhaber, G.; Swapna, G.; Ramelot, T.; Cort, J.; Kennedy, M.; Montelione, G.

Citation: Ramelot, T.; Cort, J.; Goldsmith-Fischman, S.; Kornhaber, G.; Xiao, R.; Shastry, R.; Acton, T.; Honig, B.; Montelione, G.; Kennedy, M.. "Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site"  J. Mol. Biol. 344, 567-583 (2004).

Assembly members:
NifU-like protein, polymer, 147 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Bacillus subtilis   Taxonomy ID: 1423   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus subtilis

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
NifU-like protein: MSFNANLDTLYRQVIMDHYK NPRNKGVLNDSIVVDMNNPT CGDRIRLTMKLDGDIVEDAK FEGEGCSISMASASMMTQAI KGKDIETALSMSKIFSDMMQ GKEYDDSIDLGDIEALQGVS KFPARIKCATLSWKALEKGV AKEEGGN

Data sets:
Data typeCount
1H chemical shifts305
13C chemical shifts316
15N chemical shifts144

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NifU-like protein1
2ZINC ION2

Entities:

Entity 1, NifU-like protein 147 residues - Formula weight is not available

1   METSERPHEASNALAASNLEUASPTHRLEU
2   TYRARGGLNVALILEMETASPHISTYRLYS
3   ASNPROARGASNLYSGLYVALLEUASNASP
4   SERILEVALVALASPMETASNASNPROTHR
5   CYSGLYASPARGILEARGLEUTHRMETLYS
6   LEUASPGLYASPILEVALGLUASPALALYS
7   PHEGLUGLYGLUGLYCYSSERILESERMET
8   ALASERALASERMETMETTHRGLNALAILE
9   LYSGLYLYSASPILEGLUTHRALALEUSER
10   METSERLYSILEPHESERASPMETMETGLN
11   GLYLYSGLUTYRASPASPSERILEASPLEU
12   GLYASPILEGLUALALEUGLNGLYVALSER
13   LYSPHEPROALAARGILELYSCYSALATHR
14   LEUSERTRPLYSALALEUGLULYSGLYVAL
15   ALALYSGLUGLUGLYGLYASN

Entity 2, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: NifU-like protein, [U-13C; U-15N; U-2H; NA-V,L,I-methyl], 0.7 mM; Potassium Phosphate 100 mM; Glycerol 200 mM; DTT 1 mM; NaN3 0.02%; D2O 5%; H2O 95%

sample_2: NifU-like protein, [U-13C; NA-Y,F; U-15N; U-2H; NA-Y,F], 0.4 mM; Sodium Phosphate 20 mM; Sodium Chloride 50 mM; DTT 10 mM; NaN3 0.02%; D2O 5%; H2O 95%

sample_cond_1: pH: 6.5 na; temperature: 293 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
3D-TOCSYSnot availablenot availablesample_cond_1
13C,1H-HSQCnot availablenot availablesample_cond_1
15N,1H-HSQCnot availablenot availablesample_cond_1
2D Homonuclear NOESYnot availablenot availablesample_cond_1
4D 13C-separated NOESYnot availablenot availablesample_cond_1
3D 13C-separated NOESYnot availablenot availablesample_cond_1
3D 15N-separated NOESYnot availablenot availablesample_cond_1
H/D exchangenot availablenot availablesample_cond_1

Software:

AutoAssign v1.9 - data analysis

AutoStructure v2.0.0 - structure solution

Talos v2.1 - structure solution

Hyper & PDBstat v3.2 and 3.32 - structure solution

NMRPipe v2.1 - processing

X-PLOR v2.0.6 - refinement

CNS v1.0 - refinement

Sparky v3.106 - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAI86813 BAM55339 BAM59352 GAK81939
EMBL CAB15257 CCU60313 CEI58518 CEJ78923
GB ADM39228 ADV94073 AEP88144 AEP92288 AFI29836
REF NP_391147 WP_003222809 WP_003228606 WP_010329998 WP_014480785
SP O32163

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