BMRB Entry 51424

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51424

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Title:
Backbone resonance assignments and relaxation rates for the ergothioneine-bound form of the solute binding domain of the ergothioneine transporter EgtU
Deposition date:
2022-04-30
Original release date:
2022-12-12
Authors:
Edmonds, Katherine; Zhang, Yifan; Giedroc, David
Citation:

Citation: Zhang, Yifan; Gonzalez-Gutierrez, Giovanni; Legg, Katherine; Walsh, Brenna; Pis Diez, Cristian; Edmonds, Katherine; Giedroc, David. "Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine"  Nat. Commun. 13, 7586-7586 (2022).
PubMed: 36481738

Assembly members:

Assembly members:
entity_1, polymer, 277 residues, Formula weight is not available

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: SHMEKENLIIAGKIGPEPEI LANMYKLLIEENTSMTATVK PNFGTTSFLYEALKKGDIDI YPEFTGTVTESLLQPSPKVS HEPEQVYQVARDGIAKQDHL AYLKPMSYQNTYAVAVPKKI AQEYGLKTISDLKKVEGQLK AGFTLEFNDREDGNKGLQSM YGLNLNVATMQPALRYQAIH SGDIQITDAYSTDAELERYD LQVLEDDKQLFPPYQGAPLM KEALLKKHPELERVLNTLAG KITESQMSQLNYQVGVEGKS AKQVAKEFLQEQGLLKK

Data sets:
Data typeCount
13C chemical shifts801
15N chemical shifts258
1H chemical shifts258
T1 relaxation values257
T2 relaxation values257

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1EgtU1

Entities:

Entity 1, EgtU 277 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 230-506.

1   SERHISMETGLULYSGLUASNLEUILEILE
2   ALAGLYLYSILEGLYPROGLUPROGLUILE
3   LEUALAASNMETTYRLYSLEULEUILEGLU
4   GLUASNTHRSERMETTHRALATHRVALLYS
5   PROASNPHEGLYTHRTHRSERPHELEUTYR
6   GLUALALEULYSLYSGLYASPILEASPILE
7   TYRPROGLUPHETHRGLYTHRVALTHRGLU
8   SERLEULEUGLNPROSERPROLYSVALSER
9   HISGLUPROGLUGLNVALTYRGLNVALALA
10   ARGASPGLYILEALALYSGLNASPHISLEU
11   ALATYRLEULYSPROMETSERTYRGLNASN
12   THRTYRALAVALALAVALPROLYSLYSILE
13   ALAGLNGLUTYRGLYLEULYSTHRILESER
14   ASPLEULYSLYSVALGLUGLYGLNLEULYS
15   ALAGLYPHETHRLEUGLUPHEASNASPARG
16   GLUASPGLYASNLYSGLYLEUGLNSERMET
17   TYRGLYLEUASNLEUASNVALALATHRMET
18   GLNPROALALEUARGTYRGLNALAILEHIS
19   SERGLYASPILEGLNILETHRASPALATYR
20   SERTHRASPALAGLULEUGLUARGTYRASP
21   LEUGLNVALLEUGLUASPASPLYSGLNLEU
22   PHEPROPROTYRGLNGLYALAPROLEUMET
23   LYSGLUALALEULEULYSLYSHISPROGLU
24   LEUGLUARGVALLEUASNTHRLEUALAGLY
25   LYSILETHRGLUSERGLNMETSERGLNLEU
26   ASNTYRGLNVALGLYVALGLUGLYLYSSER
27   ALALYSGLNVALALALYSGLUPHELEUGLN
28   GLUGLNGLYLEULEULYSLYS

Samples:

sample_1: EgtU, [U-13C; U-15N; U-2H], 0.75 mM; D2O, [U-2H], 10%; DSS 0.3 mM; sodium chloride 150 mM; sodium phosphate 10 mM; ergothioneine 0.75 mM

sample_2: EgtU, [U-15N], 0.75 mM; D2O, [U-2H], 10%; DSS 0.3 mM; sodium chloride 150 mM; sodium phosphate 10 mM; ergothioneine 0.75 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_2isotropicsample_conditions_1
T1/R1 relaxationsample_2isotropicsample_conditions_1
T2/R2 relaxationsample_2isotropicsample_conditions_1
1H-15N heteronoesample_2isotropicsample_conditions_1

Software:

TOPSPIN v4.1.3 - collection

NMRPipe - processing

SPARKY - data analysis

CARA - data analysis

istHMS - processing

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz

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