BMRB Entry 53742

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53742

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Title:
Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with Kinase-OFF chemotaxis signaling complexes and AMPPCP
Deposition date:
2026-04-30
Original release date:
2026-09-02
Authors:
Lu-Diaz, Katherine; Huang, Jian; Chen, Jianhan; Fejzo, Jasna; Thompson, Lynmarie
Citation:

Citation: Lu-Diaz, Katherine; Huang, Jian; Chen, Jianhan; Fejzo, Jasna; Thompson, Lynmarie. "Chemotaxis kinase CheA is regulated by modulating interdomain interactions "  Biophys. J. 125, 3261-3276 (2026).
PubMed: 42093153

Assembly members:

Assembly members:
entity_1, polymer, 134 residues, Formula weight is not available
entity_2, polymer, 395 residues, 42800 Da.
entity_3, polymer, 310 residues, 32700 Da.
entity_4, polymer, 164 residues, 17800 Da.
entity_5, non-polymer, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pTEV-CheA-P1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSMDISDFYQTFFDEADELL ADMEQHLLVLQPEAPDAEQL NAIFRAAHSIKGGAGTFGFS VLQETTHLMENLLDEARRGE MQLNTDIINLFLETKDIMQE QLDAYKQSQEPDAASFDYIC QALRQLALEAKGET
entity_2: ESTSIRVAVEKVDQLINLVG ELVITQSMLAQRSSELDPVN HGDLITSMGQLQRNARDLQE SVMSIRMMPMEYVFSRYPRL VRDLAGKLGKQVELTLVGSS TELDKSLIERIIDPLTHLVR NSLDHGIELPEKRLAAGKNS VGNLILSAEHQGGNICIEVT DDGAGLNRERILAKAASQGL TVSENMSDDEVAMLIFAPGF STAEQVTDVSGRGVGMDVVK RNIQKMGGHVEIQSKQGTGT TIRILLPLTLAILDGMSVRV ADEVFILPLNAVMESLQPRE ADLHPLAGGERVLEVRGEYL PIVELWKVFNVAGAKTEATQ GIVVILQSGGRRYALLVDQL IGQHQVVVKNLESNYRKVPG ISAATILGDGSVALIVDVSA LQAINREQRMANTAA
entity_3: MRGSHHHHHHGSPMQRSLTD TVTHVREGSDAIYAGTREIA AGNTDLSSRTEEQASALEET AASMEELTATVKQNADNARQ ASQLAQSASDTAQHGGKVVD GVVKTMHEIADSSKKIADII SVIDGIAFQTNILALNAAVE AARAGEQGRGFAVVAGEVRN LASRSAQAAKEIKALIEDSV SRVDTGSVLVESAGETMNNI VNAVTRVTDIMGEIASASDE QSRGIDQVALAVSEMDRVTQ QNASLVQESAAAAAALEEQA SRLTQAVSAFRLAASPLTNK PQTPSRPASEQPPAQPRLRI AEQDPNWETF
entity_4: MTNVTKLASEPSGQEFLVFT LGDEEYGIDILKVQEIRGYD QVTRIANTPAFIKGVTNLRG VIVPIVDLRIKFSQVDVDYN DNTVVIVLNLGQRVVGIVVD GVSDVLSLTAEQIRPAPEFA VTLSTEYLTGLGALGDRMLI LVNIEKLLNSEEMALLDSAA SEVA

Data sets:
Data typeCount
15N chemical shifts106
1H chemical shifts106

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CheA P11
2CheA-P3P4P52
3CF4E3
4CheW4
5AMPPCP5

Entities:

Entity 1, CheA P1 134 residues - Formula weight is not available

1   METSERMETASPILESERASPPHETYRGLN
2   THRPHEPHEASPGLUALAASPGLULEULEU
3   ALAASPMETGLUGLNHISLEULEUVALLEU
4   GLNPROGLUALAPROASPALAGLUGLNLEU
5   ASNALAILEPHEARGALAALAHISSERILE
6   LYSGLYGLYALAGLYTHRPHEGLYPHESER
7   VALLEUGLNGLUTHRTHRHISLEUMETGLU
8   ASNLEULEUASPGLUALAARGARGGLYGLU
9   METGLNLEUASNTHRASPILEILEASNLEU
10   PHELEUGLUTHRLYSASPILEMETGLNGLU
11   GLNLEUASPALATYRLYSGLNSERGLNGLU
12   PROASPALAALASERPHEASPTYRILECYS
13   GLNALALEUARGGLNLEUALALEUGLUALA
14   LYSGLYGLUTHR

Entity 2, CheA-P3P4P5 395 residues - 42800 Da.

1   GLUSERTHRSERILEARGVALALAVALGLU
2   LYSVALASPGLNLEUILEASNLEUVALGLY
3   GLULEUVALILETHRGLNSERMETLEUALA
4   GLNARGSERSERGLULEUASPPROVALASN
5   HISGLYASPLEUILETHRSERMETGLYGLN
6   LEUGLNARGASNALAARGASPLEUGLNGLU
7   SERVALMETSERILEARGMETMETPROMET
8   GLUTYRVALPHESERARGTYRPROARGLEU
9   VALARGASPLEUALAGLYLYSLEUGLYLYS
10   GLNVALGLULEUTHRLEUVALGLYSERSER
11   THRGLULEUASPLYSSERLEUILEGLUARG
12   ILEILEASPPROLEUTHRHISLEUVALARG
13   ASNSERLEUASPHISGLYILEGLULEUPRO
14   GLULYSARGLEUALAALAGLYLYSASNSER
15   VALGLYASNLEUILELEUSERALAGLUHIS
16   GLNGLYGLYASNILECYSILEGLUVALTHR
17   ASPASPGLYALAGLYLEUASNARGGLUARG
18   ILELEUALALYSALAALASERGLNGLYLEU
19   THRVALSERGLUASNMETSERASPASPGLU
20   VALALAMETLEUILEPHEALAPROGLYPHE
21   SERTHRALAGLUGLNVALTHRASPVALSER
22   GLYARGGLYVALGLYMETASPVALVALLYS
23   ARGASNILEGLNLYSMETGLYGLYHISVAL
24   GLUILEGLNSERLYSGLNGLYTHRGLYTHR
25   THRILEARGILELEULEUPROLEUTHRLEU
26   ALAILELEUASPGLYMETSERVALARGVAL
27   ALAASPGLUVALPHEILELEUPROLEUASN
28   ALAVALMETGLUSERLEUGLNPROARGGLU
29   ALAASPLEUHISPROLEUALAGLYGLYGLU
30   ARGVALLEUGLUVALARGGLYGLUTYRLEU
31   PROILEVALGLULEUTRPLYSVALPHEASN
32   VALALAGLYALALYSTHRGLUALATHRGLN
33   GLYILEVALVALILELEUGLNSERGLYGLY
34   ARGARGTYRALALEULEUVALASPGLNLEU
35   ILEGLYGLNHISGLNVALVALVALLYSASN
36   LEUGLUSERASNTYRARGLYSVALPROGLY
37   ILESERALAALATHRILELEUGLYASPGLY
38   SERVALALALEUILEVALASPVALSERALA
39   LEUGLNALAILEASNARGGLUGLNARGMET
40   ALAASNTHRALAALA

Entity 3, CF4E 310 residues - 32700 Da.

1   METARGGLYSERHISHISHISHISHISHIS
2   GLYSERPROMETGLNARGSERLEUTHRASP
3   THRVALTHRHISVALARGGLUGLYSERASP
4   ALAILETYRALAGLYTHRARGGLUILEALA
5   ALAGLYASNTHRASPLEUSERSERARGTHR
6   GLUGLUGLNALASERALALEUGLUGLUTHR
7   ALAALASERMETGLUGLULEUTHRALATHR
8   VALLYSGLNASNALAASPASNALAARGGLN
9   ALASERGLNLEUALAGLNSERALASERASP
10   THRALAGLNHISGLYGLYLYSVALVALASP
11   GLYVALVALLYSTHRMETHISGLUILEALA
12   ASPSERSERLYSLYSILEALAASPILEILE
13   SERVALILEASPGLYILEALAPHEGLNTHR
14   ASNILELEUALALEUASNALAALAVALGLU
15   ALAALAARGALAGLYGLUGLNGLYARGGLY
16   PHEALAVALVALALAGLYGLUVALARGASN
17   LEUALASERARGSERALAGLNALAALALYS
18   GLUILELYSALALEUILEGLUASPSERVAL
19   SERARGVALASPTHRGLYSERVALLEUVAL
20   GLUSERALAGLYGLUTHRMETASNASNILE
21   VALASNALAVALTHRARGVALTHRASPILE
22   METGLYGLUILEALASERALASERASPGLU
23   GLNSERARGGLYILEASPGLNVALALALEU
24   ALAVALSERGLUMETASPARGVALTHRGLN
25   GLNASNALASERLEUVALGLNGLUSERALA
26   ALAALAALAALAALALEUGLUGLUGLNALA
27   SERARGLEUTHRGLNALAVALSERALAPHE
28   ARGLEUALAALASERPROLEUTHRASNLYS
29   PROGLNTHRPROSERARGPROALASERGLU
30   GLNPROPROALAGLNPROARGLEUARGILE
31   ALAGLUGLNASPPROASNTRPGLUTHRPHE

Entity 4, CheW 164 residues - 17800 Da.

1   METTHRASNVALTHRLYSLEUALASERGLU
2   PROSERGLYGLNGLUPHELEUVALPHETHR
3   LEUGLYASPGLUGLUTYRGLYILEASPILE
4   LEULYSVALGLNGLUILEARGGLYTYRASP
5   GLNVALTHRARGILEALAASNTHRPROALA
6   PHEILELYSGLYVALTHRASNLEUARGGLY
7   VALILEVALPROILEVALASPLEUARGILE
8   LYSPHESERGLNVALASPVALASPTYRASN
9   ASPASNTHRVALVALILEVALLEUASNLEU
10   GLYGLNARGVALVALGLYILEVALVALASP
11   GLYVALSERASPVALLEUSERLEUTHRALA
12   GLUGLNILEARGPROALAPROGLUPHEALA
13   VALTHRLEUSERTHRGLUTYRLEUTHRGLY
14   LEUGLYALALEUGLYASPARGMETLEUILE
15   LEUVALASNILEGLULYSLEULEUASNSER
16   GLUGLUMETALALEULEUASPSERALAALA
17   SERGLUVALALA

Entity 5, AMPPCP - Formula weight is not available

1   ACP

Samples:

sample_1: CheA P1, [U-2H; U-15N], 50 uM; D2O, [U-2H], 10%; H2O 90%; potassium chloride 200 mM; potassium phosphate 109 mM; magnesium chloride 5 mM; TRIS 94 mM; Zinc chloride 420 uM; Polyethylene glycol 8000 7.5%; CheA-P3P4P5 120 uM; Chemoreceptor (Tar) cytoplasmic fragment - unmethylated (CF4E) 1000 uM; CheW 400 uM; AMPPCP 10 mM

sample_conditions_1: ionic strength: 583 mM; pH: 7.5; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection, processing

CcpNMR - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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