BMRB Entry 50756

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50756

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Title:
Titration of a C8 acyl mimetic loaded E. coli ACP with the E. coli Octanoyltransferase, LipB
Deposition date:
2021-02-09
Original release date:
2021-11-14
Authors:
Bartholow, Thomas
Citation:

Citation: Bartholow, Thomas; Sztain, Terra; Young, Megan; Davis, Tony; Abagyan, Ruben; Burkart, Michael. "Protein-protein interaction based substrate control in the E. coli octanoic acid transferase, LipB"  RSC Chem. Biol. 2, 1466-1473 (2021).
PubMed: 34704050

Assembly members:

Assembly members:
entity_1, polymer, 74 residues, Formula weight is not available
entity_2, polymer, 213 residues, 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: Pet28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TIEERVKKIIGEQLGVKQEE VTNNASFVEDLGADSLDTVE LVMALEEEFDTEIPDEEAEK ITTVQAAIDYINGH
entity_2: MYQDKILVRQLGLQPYEPIS QAMHEFTDTRDDSTLDEIWL VEHYPVFTQGQAGKAEHILM PGDIPVIQSDRGGQVTYHGP GQQVMYVLLNLKRRKLGVRE LVTLLEQTVVNTLAELGIEA HPRADAPGVYVGEKKICSLG LRIRRGCSFHGLALNVNMDL SPFLRINPCGYAGMEMAKIS QWKPEATTNNIAPRLLENIL ALLNNPDFEYITA

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
2LipB2

Entities:

Entity 1, AcpP 74 residues - Formula weight is not available

1   THRILEGLUGLUARGVALLYSLYSILEILE
2   GLYGLUGLNLEUGLYVALLYSGLNGLUGLU
3   VALTHRASNASNALASERPHEVALGLUASP
4   LEUGLYALAASPSERLEUASPTHRVALGLU
5   LEUVALMETALALEUGLUGLUGLUPHEASP
6   THRGLUILEPROASPGLUGLUALAGLULYS
7   ILETHRTHRVALGLNALAALAILEASPTYR
8   ILEASNGLYHIS

Entity 2, LipB 213 residues - Formula weight is not available

1   METTYRGLNASPLYSILELEUVALARGGLN
2   LEUGLYLEUGLNPROTYRGLUPROILESER
3   GLNALAMETHISGLUPHETHRASPTHRARG
4   ASPASPSERTHRLEUASPGLUILETRPLEU
5   VALGLUHISTYRPROVALPHETHRGLNGLY
6   GLNALAGLYLYSALAGLUHISILELEUMET
7   PROGLYASPILEPROVALILEGLNSERASP
8   ARGGLYGLYGLNVALTHRTYRHISGLYPRO
9   GLYGLNGLNVALMETTYRVALLEULEUASN
10   LEULYSARGARGLYSLEUGLYVALARGGLU
11   LEUVALTHRLEULEUGLUGLNTHRVALVAL
12   ASNTHRLEUALAGLULEUGLYILEGLUALA
13   HISPROARGALAASPALAPROGLYVALTYR
14   VALGLYGLULYSLYSILECYSSERLEUGLY
15   LEUARGILEARGARGGLYCYSSERPHEHIS
16   GLYLEUALALEUASNVALASNMETASPLEU
17   SERPROPHELEUARGILEASNPROCYSGLY
18   TYRALAGLYMETGLUMETALALYSILESER
19   GLNTRPLYSPROGLUALATHRTHRASNASN
20   ILEALAPROARGLEULEUGLUASNILELEU
21   ALALEULEUASNASNPROASPPHEGLUTYR
22   ILETHRALA

Samples:

sample_1: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.075 uM; E. coli 3-oxoacyl-[acyl-carrier-protein] synthase 2 0.113 mM

sample_2: E. coli Acyl Carrier Protein, [U-100% 15N; U~90% 2H], 0.075 mM

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC C8-AcpP LipB titration saturatedsample_1isotropicsample_conditions_1
2D 1H-15N HSQC C8-AcpP LipB titration zero pointsample_2isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMR Pipe - processing

SPARKY - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

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