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 27879

Title: Resonance assignemnt of HpDnaB:ADP:AlF4-:DNA   PubMed: 31310428

Deposition date: 2019-04-17 Original release date: 2019-04-18

Authors: Schledorn, Maarten; Cadalbert, Riccardo; Meier, Beat H.; Boeckmann, Anja

Citation: Wiegand, Thomas; Schledorn, Maarten; Malar, Alexander; Cadalbert, Riccardo; Dapp, Alexander; Terradot, Laurent; Meier, Beat; Bockmann, Anja. "Nucleotide binding modes in a motor protein revealed by 31P and 1H-detected MAS solid-state NMR"  Chembiochem 21, 324-330 (2020).

Assembly members:
DnaB_helicase, polymer, 488 residues, Formula weight is not available
entity_MG, non-polymer, 24.305 Da.
entity_ADP, non-polymer, 427.201 Da.
entity_ALF, non-polymer, 102.975 Da.

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

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pACYC-duet1

Entity Sequences (FASTA):
DnaB_helicase: MDHLKHLQQLQNIERIVLSG IVLANHKIEEVHSVLEPSDF YYPPNGLFFEIALKLHEEDC PIDENFIRQKMPKDKQIKEE DLVAIFAASPIDNIEAYVEE IKNASIKRKLFGLANTIREQ ALESAQKSSDILGAVEREVY ALLNGSTIEGFRNIKEVLES AMDLITENQRKGSLEVTGIP TGFVQLDNYTSGFNKGSLVI IGARPSMGKTSLMMNMVLSA LNDDRGVAVFSLEMSAEQLA LRALSDLTSINMHDLESGRL DDDQWENLAKCFDHLSQKKL FFYDKSYVRIEQIRLQLRKL KSQHKELGIAFIDYLQLMSG SKATKERHEQIAEISRELKT LARELEIPIIALVQLNRSLE NRDDKRPILSDIKDSGGIEQ DADIVLFLYRGYIYQMRAED NKIDKLKKEGKIEEAQELYL KVNEERRIHKQNGSIEEAEI IVAKNRNGATGTVYTRFNAP FTRYEDMPIDSHLEEGQETK VDYDIVTT

Data sets:
Data typeCount
13C chemical shifts721
15N chemical shifts191
1H chemical shifts289

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DnaB helicase1
2Magnesium ion2
3ADP3
4AlF4-4

Entities:

Entity 1, DnaB helicase 488 residues - Formula weight is not available

1   METASPHISLEULYSHISLEUGLNGLNLEU
2   GLNASNILEGLUARGILEVALLEUSERGLY
3   ILEVALLEUALAASNHISLYSILEGLUGLU
4   VALHISSERVALLEUGLUPROSERASPPHE
5   TYRTYRPROPROASNGLYLEUPHEPHEGLU
6   ILEALALEULYSLEUHISGLUGLUASPCYS
7   PROILEASPGLUASNPHEILEARGGLNLYS
8   METPROLYSASPLYSGLNILELYSGLUGLU
9   ASPLEUVALALAILEPHEALAALASERPRO
10   ILEASPASNILEGLUALATYRVALGLUGLU
11   ILELYSASNALASERILELYSARGLYSLEU
12   PHEGLYLEUALAASNTHRILEARGGLUGLN
13   ALALEUGLUSERALAGLNLYSSERSERASP
14   ILELEUGLYALAVALGLUARGGLUVALTYR
15   ALALEULEUASNGLYSERTHRILEGLUGLY
16   PHEARGASNILELYSGLUVALLEUGLUSER
17   ALAMETASPLEUILETHRGLUASNGLNARG
18   LYSGLYSERLEUGLUVALTHRGLYILEPRO
19   THRGLYPHEVALGLNLEUASPASNTYRTHR
20   SERGLYPHEASNLYSGLYSERLEUVALILE
21   ILEGLYALAARGPROSERMETGLYLYSTHR
22   SERLEUMETMETASNMETVALLEUSERALA
23   LEUASNASPASPARGGLYVALALAVALPHE
24   SERLEUGLUMETSERALAGLUGLNLEUALA
25   LEUARGALALEUSERASPLEUTHRSERILE
26   ASNMETHISASPLEUGLUSERGLYARGLEU
27   ASPASPASPGLNTRPGLUASNLEUALALYS
28   CYSPHEASPHISLEUSERGLNLYSLYSLEU
29   PHEPHETYRASPLYSSERTYRVALARGILE
30   GLUGLNILEARGLEUGLNLEUARGLYSLEU
31   LYSSERGLNHISLYSGLULEUGLYILEALA
32   PHEILEASPTYRLEUGLNLEUMETSERGLY
33   SERLYSALATHRLYSGLUARGHISGLUGLN
34   ILEALAGLUILESERARGGLULEULYSTHR
35   LEUALAARGGLULEUGLUILEPROILEILE
36   ALALEUVALGLNLEUASNARGSERLEUGLU
37   ASNARGASPASPLYSARGPROILELEUSER
38   ASPILELYSASPSERGLYGLYILEGLUGLN
39   ASPALAASPILEVALLEUPHELEUTYRARG
40   GLYTYRILETYRGLNMETARGALAGLUASP
41   ASNLYSILEASPLYSLEULYSLYSGLUGLY
42   LYSILEGLUGLUALAGLNGLULEUTYRLEU
43   LYSVALASNGLUGLUARGARGILEHISLYS
44   GLNASNGLYSERILEGLUGLUALAGLUILE
45   ILEVALALALYSASNARGASNGLYALATHR
46   GLYTHRVALTYRTHRARGPHEASNALAPRO
47   PHETHRARGTYRGLUASPMETPROILEASP
48   SERHISLEUGLUGLUGLYGLNGLUTHRLYS
49   VALASPTYRASPILEVALTHRTHR

Entity 2, Magnesium ion - Mg - 24.305 Da.

1   MG

Entity 3, ADP - C10 H15 N5 O10 P2 - 427.201 Da.

1   ADP

Entity 4, AlF4- - Al F4 - 102.975 Da.

1   ALF

Samples:

sample_1: DnaB helicase, [U-100% 13C; U-100% 15N], 0.3 mM; Magnesium ion 5 mM; ADP 5 mM; AlF4- 5 mM; (dT)20 1 mM

sample_conditions_1: pH: 6.5; temperature: 292 K

Experiments:

NameSampleSample stateSample conditions
NCACBsample_1isotropicsample_conditions_1
NCACXsample_1isotropicsample_conditions_1
NCOCXsample_1isotropicsample_conditions_1
CANCOsample_1isotropicsample_conditions_1
NcoCACBsample_1isotropicsample_conditions_1
CANcoCAsample_1isotropicsample_conditions_1
hNCAHsample_1isotropicsample_conditions_1
hCANHsample_1isotropicsample_conditions_1
hNcoCAHsample_1isotropicsample_conditions_1
hCAcoNHsample_1isotropicsample_conditions_1
NCXsample_1isotropicsample_conditions_1
NHHPsample_1isotropicsample_conditions_1
CHHPsample_1isotropicsample_conditions_1
NCCsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.5, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 850 MHz

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