BMRB Entry 50220

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50220

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Title:
Staphylococcus aureus EF-GC3 methyl chemical shift assignments in complex with FusB
Deposition date:
2020-04-01
Original release date:
2020-10-07
Authors:
Tomlinson, Jennifer; Kalverda, Arnout
Citation:

Citation: Tomlinson, Jennifer; Kalverda, Arnout; Calabrese, Antonio. "Fusidic acid resistance through changes in the dynamics of the drug target"  Proc. Natl. Acad. Sci. U. S. A. 117, 25523-25531 (2020).
PubMed: 32999060

Assembly members:

Assembly members:
entity_1, polymer, 292 residues, 32272.721 Da.
entity_2, polymer, 233 residues, 25225.330 Da.
entity_ZN, non-polymer, 65.409 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-29b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MEFPEPVIHLSVEPKSKADQ DKMTQALVKLQEEDPTFHAH TDEETGQVIIGGMGELHLDI LVDRMKKEFNVECNVGAPMV SYRETFKSSAQVQGKFSRQS GGRGQYGDVHIEFTPNETGA GFEFENAIVGGVVPREYIPS VEAGLKDAMENGVLAGYPLI DVKAKLYDGSYHDVDSSEMA FKIAASLALKEAAKKCDPVI LEPMMKVTIEMPEEYMGDIM GDVTSRRGRVDGMEPRGNAQ VVNAYVPLSEMFGYATSLRS NTQGRGTYTMYFDHYAEVPK SIAEDIIKKNKG
entity_2: MGSSHHHHHHSSGLVPNGSH MKTMIYPHQYNYIRSVILRL KNVYKTVNDKETVKVIQSET YNDINEIFGHIDDDIEESLK VLMNIRLSNKEIEAILNKFL EYVVPFELPSPQKLQKVFKK VKKIKIPQFEEYDLKVSSFV GWNELASNRKYIIYYDEKKQ LKGLYGEISNQVVKGFCTIC NKESNVSLFMKKSKTNSDGQ YVKKGDYICRDSIHCNKQLT DINQFYNFIDKLD

Data sets:
Data typeCount
13C chemical shifts264
1H chemical shifts361

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1EF-GC31
2FusB2
3ZINC ION3

Entities:

Entity 1, EF-GC3 292 residues - 32272.721 Da.

This is a truncated form of the protein comprising domains III-V and beginning at residue 401 of full length EF-G. Residues 694-701 represent a non-native affinity tag.

1   METGLUPHEPROGLUPROVALILEHISLEU
2   SERVALGLUPROLYSSERLYSALAASPGLN
3   ASPLYSMETTHRGLNALALEUVALLYSLEU
4   GLNGLUGLUASPPROTHRPHEHISALAHIS
5   THRASPGLUGLUTHRGLYGLNVALILEILE
6   GLYGLYMETGLYGLULEUHISLEUASPILE
7   LEUVALASPARGMETLYSLYSGLUPHEASN
8   VALGLUCYSASNVALGLYALAPROMETVAL
9   SERTYRARGGLUTHRPHELYSSERSERALA
10   GLNVALGLNGLYLYSPHESERARGGLNSER
11   GLYGLYARGGLYGLNTYRGLYASPVALHIS
12   ILEGLUPHETHRPROASNGLUTHRGLYALA
13   GLYPHEGLUPHEGLUASNALAILEVALGLY
14   GLYVALVALPROARGGLUTYRILEPROSER
15   VALGLUALAGLYLEULYSASPALAMETGLU
16   ASNGLYVALLEUALAGLYTYRPROLEUILE
17   ASPVALLYSALALYSLEUTYRASPGLYSER
18   TYRHISASPVALASPSERSERGLUMETALA
19   PHELYSILEALAALASERLEUALALEULYS
20   GLUALAALALYSLYSCYSASPPROVALILE
21   LEUGLUPROMETMETLYSVALTHRILEGLU
22   METPROGLUGLUTYRMETGLYASPILEMET
23   GLYASPVALTHRSERARGARGGLYARGVAL
24   ASPGLYMETGLUPROARGGLYASNALAGLN
25   VALVALASNALATYRVALPROLEUSERGLU
26   METPHEGLYTYRALATHRSERLEUARGSER
27   ASNTHRGLNGLYARGGLYTHRTYRTHRMET
28   TYRPHEASPHISTYRALAGLUVALPROLYS
29   SERILEALAGLUASPILEILELYSLYSASN
30   LYSGLY

Entity 2, FusB 233 residues - 25225.330 Da.

Residues -19-0 represent a non-native affinity tag.

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROASNGLYSERHIS
3   METLYSTHRMETILETYRPROHISGLNTYR
4   ASNTYRILEARGSERVALILELEUARGLEU
5   LYSASNVALTYRLYSTHRVALASNASPLYS
6   GLUTHRVALLYSVALILEGLNSERGLUTHR
7   TYRASNASPILEASNGLUILEPHEGLYHIS
8   ILEASPASPASPILEGLUGLUSERLEULYS
9   VALLEUMETASNILEARGLEUSERASNLYS
10   GLUILEGLUALAILELEUASNLYSPHELEU
11   GLUTYRVALVALPROPHEGLULEUPROSER
12   PROGLNLYSLEUGLNLYSVALPHELYSLYS
13   VALLYSLYSILELYSILEPROGLNPHEGLU
14   GLUTYRASPLEULYSVALSERSERPHEVAL
15   GLYTRPASNGLULEUALASERASNARGLYS
16   TYRILEILETYRTYRASPGLULYSLYSGLN
17   LEULYSGLYLEUTYRGLYGLUILESERASN
18   GLNVALVALLYSGLYPHECYSTHRILECYS
19   ASNLYSGLUSERASNVALSERLEUPHEMET
20   LYSLYSSERLYSTHRASNSERASPGLYGLN
21   TYRVALLYSLYSGLYASPTYRILECYSARG
22   ASPSERILEHISCYSASNLYSGLNLEUTHR
23   ASPILEASNGLNPHETYRASNPHEILEASP
24   LYSLEUASP

Entity 3, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: EF-GC3, [U-100% 13C; U-100% 15N; partial 2H (grown in D2O with 1H glucose)], 0.250 ± 0.01 mM; FusB 0.375 ± 0.01 mM; TRIS 20 mM; sodium chloride 300 mM; DTT 5 mM

sample_conditions_1: ionic strength: 0.300 M; pH: 8.000; pressure: 1.000 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1

Software:

CcpNmr_Analysis v2.1 - chemical shift assignment, processing

NMRView v7.9 - data analysis, processing

NMR spectrometers:

  • Bruker Avance 748 MHz
  • Varian INOVA 600 MHz

Related Database Links:

NCBI P68790 YP_009078429