BMRB Entry 50333

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50333

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Title:
Backbone relaxation rates for the solute binding protein PiuA bound to Ga(III) 4-LICAM
Deposition date:
2020-06-19
Original release date:
2020-08-25
Authors:
Edmonds, Katherine; Zhang, Yifan; Wu, Hongwei; Giedroc, David
Citation:

Citation: Zhang, Yifan; Edmonds, Katherine; Raines, Daniel; Murphy, Brennan; Wu, Hongwei; Guo, Chuchu; Nolan, Elizabeth; VanNieuwenhze, Michael; Duhme-Klair, Anne-; Giedroc, David. "The pneumococcal iron uptake protein A (PiuA) specifically recognizes tetradentate FeIII bis- and mono-catechol complexes"  J. Mol. Biol. 432, 5390-5410 (2020).
PubMed: 32795535

Assembly members:

Assembly members:
entity_1, polymer, 288 residues, Formula weight is not available
entity_GA, non-polymer, 69.723 Da.
entity_LCM, non-polymer, 360.361 Da.

Natural source:

Natural source:   Common Name: Streptococcus pneumoniae   Taxonomy ID: 1313   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptococcus pneumoniae

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SHMSAPTEITIKSSLDEVKL SKVPEKIVTFDLGAADTIRA LGFEKNIVGMPTKTVPTYLK DLVGTVKNVGSMKEPDLEAI AALEPDLIIASPRTQKFVDK FKEIAPTVLFQASKDDYWTS TKANIESLASAFGETSTQKA KEELAKLDKSIQEVATKNES SDKKALAILLNEGKMAAFGA KSRFSFLYQTLKFKPTDTKF EDSRHGQEVSFESVKEINPD ILFVINRTLAIGGDNSSNDG VLENALIAETPAAKNGKIIQ LTPDLWYLSGGGLESTKLMI EDIQKALK

Data sets:
Data typeCount
T1 relaxation values251
T2 relaxation values251
heteronuclear NOE values251

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1PiuA1
2Ga(III)2
34-LICAM3

Entities:

Entity 1, PiuA 288 residues - Formula weight is not available

The first 3 residues of this construct are a cloning artifact. Remaining residues are the soluble, extracellular domain, residues 37-321.

1   SERHISMETSERALAPROTHRGLUILETHR
2   ILELYSSERSERLEUASPGLUVALLYSLEU
3   SERLYSVALPROGLULYSILEVALTHRPHE
4   ASPLEUGLYALAALAASPTHRILEARGALA
5   LEUGLYPHEGLULYSASNILEVALGLYMET
6   PROTHRLYSTHRVALPROTHRTYRLEULYS
7   ASPLEUVALGLYTHRVALLYSASNVALGLY
8   SERMETLYSGLUPROASPLEUGLUALAILE
9   ALAALALEUGLUPROASPLEUILEILEALA
10   SERPROARGTHRGLNLYSPHEVALASPLYS
11   PHELYSGLUILEALAPROTHRVALLEUPHE
12   GLNALASERLYSASPASPTYRTRPTHRSER
13   THRLYSALAASNILEGLUSERLEUALASER
14   ALAPHEGLYGLUTHRSERTHRGLNLYSALA
15   LYSGLUGLULEUALALYSLEUASPLYSSER
16   ILEGLNGLUVALALATHRLYSASNGLUSER
17   SERASPLYSLYSALALEUALAILELEULEU
18   ASNGLUGLYLYSMETALAALAPHEGLYALA
19   LYSSERARGPHESERPHELEUTYRGLNTHR
20   LEULYSPHELYSPROTHRASPTHRLYSPHE
21   GLUASPSERARGHISGLYGLNGLUVALSER
22   PHEGLUSERVALLYSGLUILEASNPROASP
23   ILELEUPHEVALILEASNARGTHRLEUALA
24   ILEGLYGLYASPASNSERSERASNASPGLY
25   VALLEUGLUASNALALEUILEALAGLUTHR
26   PROALAALALYSASNGLYLYSILEILEGLN
27   LEUTHRPROASPLEUTRPTYRLEUSERGLY
28   GLYGLYLEUGLUSERTHRLYSLEUMETILE
29   GLUASPILEGLNLYSALALEULYS

Entity 2, Ga(III) - Ga - 69.723 Da.

1   GA

Entity 3, 4-LICAM - C18 H20 N2 O6 - 360.361 Da.

1   LCM

Samples:

sample_1: PiuA, [U-15N], 0.54 mM; D2O, [U-2H], 10%; DSS 0.3 mM; sodium chloride 150 mM; MES 25 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
T1/R1 relaxationsample_1isotropicsample_conditions_1
1H-15N heteronoesample_1isotropicsample_conditions_1
T2/R2 relaxationsample_1isotropicsample_conditions_1
15N relaxation dispersionsample_1isotropicsample_conditions_1

Software:

TOPSPIN v4.0.7 - collection

NMRPipe - processing

SPARKY - data analysis

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz