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Biological Magnetic Resonance Data Bank


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BMRB Entry 19056

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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/BMR19056
MolProbity Validation Chart

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Title: 1H, 13C, 15N backbone and side chain NMR resonance assignments of the N-terminal NEAr iron Transporter (NEAT 1) domain of the IsdB hemoglobin receptor of Staphylococcus aureus   PubMed: 23686822

Deposition date: 2013-02-26 Original release date: 2013-05-30

Authors: Fonner, Brittany; Tripet, Brian; Lui, Mengyao; Lei, Benfang; Copie, Valerie

Citation: Fonner, Brittany; Tripet, Brian; Lui, Mengyao; Zhu, Hui; Lei, Benfang; Copie, Valerie. "1H, 13C, 15N backbone and side chain NMR resonance assignments of the N-terminal NEAr iron transporter domain 1 (NEAT 1) of the hemoglobin receptor IsdB of Staphylococcus aureus."  Biomol. NMR Assignments 8, 201-205 (2014).

Assembly members:
IsdB_N1, polymer, 163 residues, 19075 Da.

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

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

Entity Sequences (FASTA):
IsdB_N1: MAHHHHHHVDDDDKMLNQEL REAIKNPAIKDKDHSAPNSR PIDFEMKKKDGTQQFYHYAS SVKPARVIFTDSKPEIELGL QSGQFWRKFEVYEGDKKLPI KLVSYDTVKDYAYIRFSVSN GTKAVKIVSSTHFNNKEEKY DYTLMEFAQPIYNSADKFKT EED

Data sets:
Data typeCount
13C chemical shifts419
15N chemical shifts132
1H chemical shifts730

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1IsdB N11

Entities:

Entity 1, IsdB N1 163 residues - 19075 Da.

Residues 1-15 correspond to a non-native His tag for purification. The sequence of the native protein and for assignment purposes begins with L125.

1   METALAHISHISHISHISHISHISVALASP
2   ASPASPASPLYSMETLEUASNGLNGLULEU
3   ARGGLUALAILELYSASNPROALAILELYS
4   ASPLYSASPHISSERALAPROASNSERARG
5   PROILEASPPHEGLUMETLYSLYSLYSASP
6   GLYTHRGLNGLNPHETYRHISTYRALASER
7   SERVALLYSPROALAARGVALILEPHETHR
8   ASPSERLYSPROGLUILEGLULEUGLYLEU
9   GLNSERGLYGLNPHETRPARGLYSPHEGLU
10   VALTYRGLUGLYASPLYSLYSLEUPROILE
11   LYSLEUVALSERTYRASPTHRVALLYSASP
12   TYRALATYRILEARGPHESERVALSERASN
13   GLYTHRLYSALAVALLYSILEVALSERSER
14   THRHISPHEASNASNLYSGLUGLULYSTYR
15   ASPTYRTHRLEUMETGLUPHEALAGLNPRO
16   ILETYRASNSERALAASPLYSPHELYSTHR
17   GLUGLUASP

Samples:

sample_1: IsdB N1, [U-99% 15N], 1 mM; sodium phosphate 50 mM; sodium chloride 400 mM; PMSF 0.1 mM; EDTA 1 mM; sodium azide 0.01%; D2O, [U-99% 2H], 5%; H2O 95%

sample_2: IsdB N1, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 50 mM; sodium chloride 400 mM; PMSF 0.1 mM; EDTA 1 mM; sodium azide 0.01%; D2O, [U-99% 2H], 5%; H2O 95%

sample_3: IsdB N1, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 50 mM; sodium chloride 400 mM; PMSF 0.1 mM; EDTA 1 mM; sodium azide 0.01%; D2O, [U-99% 2H], 100%

sample_conditions_1: ionic strength: 0.45 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HBHA(CO)NHsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_3isotropicsample_conditions_1
3D 1H-13C NOESYsample_3isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection

NMRPipe v7.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw v7.4, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.113, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

REF YP_001332074.1 WP_001041562 WP_001041563 WP_001041564 WP_001041565 WP_001041566
PDB
DBJ BAB42225 BAB57291 BAB94876 BAF67312 BAF78003
EMBL CAG40104 CAG42837 CAI80681 CAQ49550 CBI49002
GB AAL33769 AAW38018 ABD21843 ABD30196 ABQ48988
SP A5IS15 A6QG30 A6U0U6 A7X146 P0C7J5

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