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 50559

Title: Titration of C8-AcpP with the E. coli thioesterase 1 TesA   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_3, polymer, 208 residues, Formula weight is not available

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_3: MMNFNNVFRWHLPFLFLVLL TFRAAAADTLLILGDSLSAG YRMSASAAWPALLNDKWQSK TSVVNASISGDTSQQGLARL PALLKQHQPRWVLVELGGND GLRGFQPQQTEQTLRQILQD VKAANAEPLLMQIRLPANYG RRYNEAFSAIYPKLAKEFDV PLLPFFMEEVYLKPQWMQDD GIHPNRDAQPFIADWMAKQL QPLVNHDS

Data sets:
Data typeCount
15N chemical shifts143
1H chemical shifts143

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AcpP1
2TesA2

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, TesA 208 residues - Formula weight is not available

1   METMETASNPHEASNASNVALPHEARGTRP
2   HISLEUPROPHELEUPHELEUVALLEULEU
3   THRPHEARGALAALAALAALAASPTHRLEU
4   LEUILELEUGLYASPSERLEUSERALAGLY
5   TYRARGMETSERALASERALAALATRPPRO
6   ALALEULEUASNASPLYSTRPGLNSERLYS
7   THRSERVALVALASNALASERILESERGLY
8   ASPTHRSERGLNGLNGLYLEUALAARGLEU
9   PROALALEULEULYSGLNHISGLNPROARG
10   TRPVALLEUVALGLULEUGLYGLYASNASP
11   GLYLEUARGGLYPHEGLNPROGLNGLNTHR
12   GLUGLNTHRLEUARGGLNILELEUGLNASP
13   VALLYSALAALAASNALAGLUPROLEULEU
14   METGLNILEARGLEUPROALAASNTYRGLY
15   ARGARGTYRASNGLUALAPHESERALAILE
16   TYRPROLYSLEUALALYSGLUPHEASPVAL
17   PROLEULEUPROPHEPHEMETGLUGLUVAL
18   TYRLEULYSPROGLNTRPMETGLNASPASP
19   GLYILEHISPROASNARGASPALAGLNPRO
20   PHEILEALAASPTRPMETALALYSGLNLEU
21   GLNPROLEUVALASNHISASPSER

Samples:

sample_1: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.0699 uM; E. coli Thioesterase 1 0.104 uM; 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], 0.0699 uM; 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 TesA titration saturatedsample_1isotropicsample_conditions_1
2D 1H-15N HSQC AcpP TesA 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