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 50560

Title: Titration of AcpP with the E. coli 3-oxoacyl-[acyl-carrier-protein] reductase FabG   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_2, polymer, 244 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_2: MNFEGKIALVTGASRGIGRA IAETLAARGAKVIGTATSEN GAQAISDYLGANGKGLMLNV TDPASIESVLEKIRAEFGEV DILVNNAGITRDNLLMRMKD EEWNDIIETNLSSVFRLSKA VMRAMMKKRHGRIITIGSVV GTMGNGGQANYAAAKAGLIG FSKSLAREVASRGITVNVVA PGFIETDMTRALSDDQRAGI LAQVPAGRLGGAQEIANAVA FLASDEAAYITGETLHVNGG MYMV

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
2FabG2
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, FabG 244 residues - Formula weight is not available

1   METASNPHEGLUGLYLYSILEALALEUVAL
2   THRGLYALASERARGGLYILEGLYARGALA
3   ILEALAGLUTHRLEUALAALAARGGLYALA
4   LYSVALILEGLYTHRALATHRSERGLUASN
5   GLYALAGLNALAILESERASPTYRLEUGLY
6   ALAASNGLYLYSGLYLEUMETLEUASNVAL
7   THRASPPROALASERILEGLUSERVALLEU
8   GLULYSILEARGALAGLUPHEGLYGLUVAL
9   ASPILELEUVALASNASNALAGLYILETHR
10   ARGASPASNLEULEUMETARGMETLYSASP
11   GLUGLUTRPASNASPILEILEGLUTHRASN
12   LEUSERSERVALPHEARGLEUSERLYSALA
13   VALMETARGALAMETMETLYSLYSARGHIS
14   GLYARGILEILETHRILEGLYSERVALVAL
15   GLYTHRMETGLYASNGLYGLYGLNALAASN
16   TYRALAALAALALYSALAGLYLEUILEGLY
17   PHESERLYSSERLEUALAARGGLUVALALA
18   SERARGGLYILETHRVALASNVALVALALA
19   PROGLYPHEILEGLUTHRASPMETTHRARG
20   ALALEUSERASPASPGLNARGALAGLYILE
21   LEUALAGLNVALPROALAGLYARGLEUGLY
22   GLYALAGLNGLUILEALAASNALAVALALA
23   PHELEUALASERASPGLUALAALATYRILE
24   THRGLYGLUTHRLEUHISVALASNGLYGLY
25   METTYRMETVAL

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], 0.0538 uM; Nicotinamide adenine dinucleotide 0.5 mM; E. coli 3-oxoacyl-[acyl-carrier-protein] reductase 0.2199 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], 0.0538 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 FabG titration saturatedsample_1isotropicsample_conditions_1
2D 1H-15N HSQC AcpP FabG 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