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 50561

Title: Titration of C8-AcpP with the E. coli Enoyl-[acyl-carrier-protein] reductase FabI   PubMed: 33727677

Deposition date: 2020-11-11 Original release date: 2021-05-18

Authors: Bartholow, Thomas

Citation: Bartholow, Thomas; Sztain, Terra; Patel, Ashay; Lee, D John; Young, Megan; Abagyan, Ruben; Burkart, Michael. "Elucidation of transient protein-protein interactions within carrier protein-dependent biosynthesis"  Commun. Biol. 4, 340-340 (2021).

Assembly members:
entity_1, polymer, 99 residues, Formula weight is not available
entity_5, polymer, 262 residues, Formula weight is not available
entity_NAD, non-polymer, 663.425 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: Pet28b

Entity Sequences (FASTA):
entity_1: MGSSHHHHHHSSGLVPRGSH MMSTIEERVKKIIGEQLGVK QEEVTNNASFVEDLGADSLD TVELVMALEEEFDTEIPDEE AEKITTVQAAIDYINGHQA
entity_5: MGFLSGKRILVTGVASKLSI AYGIAQAMHREGAELAFTYQ NDKLKGRVEEFAAQLGSDIV LQCDVAEDASIDTMFAELGK VWPKFDGFVHSIGFAPGDQL DGDYVNAVTREGFKIAHDIS SYSFVAMAKACRSMLNPGSA LLTLSYLGAERAIPNYNVMG LAKASLEANVRYMANAMGPE GVRVNAISAGPIRTLAASGI KDFRKMLAHCEAVTPIRRTV TIEDVGNSAAFLCSDLSAGI SGEVVHVDGGFSIAAMNELE LK

Data sets:
Data typeCount
15N chemical shifts144
1H chemical shifts144

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AcpP1
2FabI2
3NAD3

Entities:

Entity 1, AcpP 99 residues - Formula weight is not available

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METMETSERTHRILEGLUGLUARGVALLYS
4   LYSILEILEGLYGLUGLNLEUGLYVALLYS
5   GLNGLUGLUVALTHRASNASNALASERPHE
6   VALGLUASPLEUGLYALAASPSERLEUASP
7   THRVALGLULEUVALMETALALEUGLUGLU
8   GLUPHEASPTHRGLUILEPROASPGLUGLU
9   ALAGLULYSILETHRTHRVALGLNALAALA
10   ILEASPTYRILEASNGLYHISGLNALA

Entity 2, FabI 262 residues - Formula weight is not available

1   METGLYPHELEUSERGLYLYSARGILELEU
2   VALTHRGLYVALALASERLYSLEUSERILE
3   ALATYRGLYILEALAGLNALAMETHISARG
4   GLUGLYALAGLULEUALAPHETHRTYRGLN
5   ASNASPLYSLEULYSGLYARGVALGLUGLU
6   PHEALAALAGLNLEUGLYSERASPILEVAL
7   LEUGLNCYSASPVALALAGLUASPALASER
8   ILEASPTHRMETPHEALAGLULEUGLYLYS
9   VALTRPPROLYSPHEASPGLYPHEVALHIS
10   SERILEGLYPHEALAPROGLYASPGLNLEU
11   ASPGLYASPTYRVALASNALAVALTHRARG
12   GLUGLYPHELYSILEALAHISASPILESER
13   SERTYRSERPHEVALALAMETALALYSALA
14   CYSARGSERMETLEUASNPROGLYSERALA
15   LEULEUTHRLEUSERTYRLEUGLYALAGLU
16   ARGALAILEPROASNTYRASNVALMETGLY
17   LEUALALYSALASERLEUGLUALAASNVAL
18   ARGTYRMETALAASNALAMETGLYPROGLU
19   GLYVALARGVALASNALAILESERALAGLY
20   PROILEARGTHRLEUALAALASERGLYILE
21   LYSASPPHEARGLYSMETLEUALAHISCYS
22   GLUALAVALTHRPROILEARGARGTHRVAL
23   THRILEGLUASPVALGLYASNSERALAALA
24   PHELEUCYSSERASPLEUSERALAGLYILE
25   SERGLYGLUVALVALHISVALASPGLYGLY
26   PHESERILEALAALAMETASNGLULEUGLU
27   LEULYS

Entity 3, NAD - C21 H27 N7 O14 P2 - 663.425 Da.

1   NAD

Samples:

sample_1: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.0669 uM; E. coli Enoyl-[acyl-carrier-protein] reductase 0.2689 uM; Nicotinamide adenine dinucleotide 0.5 mM; sodium azide 0.1%; TCEP 0.5 mM; potassium phosphate 10 mM

sample_2: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.0669 uM; Nicotinamide adenine dinucleotide 0.5 mM; sodium azide 0.1%; TCEP 0.5 mM; potassium phosphate 10 mM

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC AcpP FabI titration saturatedsample_1isotropicsample_conditions_1
2D 1H-15N HSQC AcpP FabI titration zero pointsample_2isotropicsample_conditions_1
2D Peak list of assignmentssample_2isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMR Pipe - processing

SPARKY - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

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