BMRB Entry 27872

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27872

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Title:
Backbone 1H and 15N chemical shifts for wt AcpP, titrated with 0.00, 0.50, 1.00, 1.50, and 2.00 equivalents of FabB
Deposition date:
2019-04-05
Original release date:
2019-05-08
Authors:
Lee, David; Hale, Joseph; Burkart, Michael
Citation:

Citation: Milligan, Jacob; Lee, D.; Jackson, David; Schaub, Andrew; Beld, Joris; Barajas, Jesus; Hale, Joseph; Luo, Ray; Burkart, Michael; Tsai, Shiou-Chuan. "Molecular basis for interactions between an acyl carrier protein and a ketosynthase"  Nat. Chem. Biol. 15, 669-671 (2019).
PubMed: 31209348

Assembly members:

Assembly members:
wt_AcpP, polymer, 86 residues, Formula weight is not available
FabB, polymer, 426 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: pET22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
wt_AcpP: MSTIEERVKKIIGEQLGVKQ EEVTNNASFVEDLGADSLDT VELVMALEEEFDTEIPDEEA EKITTVQAAIDYINGHQALE HHHHHH
FabB: MGSSHHHHHHSSGLVPRGSH MKRAVITGLGIVSSIGNNQQ EVLASLREGRSGITFSQELK DSGMRSHVWGNVKLDTTGLI DRKVVRFMSDASIYAFLSME QAIADAGLSPEAYQNNPRVG LIAGSGGGSPRFQVFGADAM RGPRGLKAVGPYVVTKAMAS GVSACLATPFKIHGVNYSIS SACATSAHCIGNAVEQIQLG KQDIVFAGGGEELCWEMACE FDAMGALSTKYNDTPEKASR TYDAHRDGFVIAGGGGMVVV EELEHALARGAHIYAEIVGY GATSDGADMVAPSGEGAVRC MKMAMHGVDTPIDYLNSHGT STPVGDVKELAAIREVFGDK SPAISATKAMTGHSLGAAGV QEAIYSLLMLEHGFIAPSIN IEELDEQAAGLNIVTETTDR ELTTVMSNSFGFGGTNATLV MRKLKD

Data typeCount
15N chemical shifts360
1H chemical shifts360

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1wt_AcpP1
2FabB2

Entities:

Entity 1, wt_AcpP 86 residues - Formula weight is not available

1   METSERTHRILEGLUGLUARGVALLYSLYS
2   ILEILEGLYGLUGLNLEUGLYVALLYSGLN
3   GLUGLUVALTHRASNASNALASERPHEVAL
4   GLUASPLEUGLYALAASPSERLEUASPTHR
5   VALGLULEUVALMETALALEUGLUGLUGLU
6   PHEASPTHRGLUILEPROASPGLUGLUALA
7   GLULYSILETHRTHRVALGLNALAALAILE
8   ASPTYRILEASNGLYHISGLNALALEUGLU
9   HISHISHISHISHISHIS

Entity 2, FabB 426 residues - Formula weight is not available

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METLYSARGALAVALILETHRGLYLEUGLY
4   ILEVALSERSERILEGLYASNASNGLNGLN
5   GLUVALLEUALASERLEUARGGLUGLYARG
6   SERGLYILETHRPHESERGLNGLULEULYS
7   ASPSERGLYMETARGSERHISVALTRPGLY
8   ASNVALLYSLEUASPTHRTHRGLYLEUILE
9   ASPARGLYSVALVALARGPHEMETSERASP
10   ALASERILETYRALAPHELEUSERMETGLU
11   GLNALAILEALAASPALAGLYLEUSERPRO
12   GLUALATYRGLNASNASNPROARGVALGLY
13   LEUILEALAGLYSERGLYGLYGLYSERPRO
14   ARGPHEGLNVALPHEGLYALAASPALAMET
15   ARGGLYPROARGGLYLEULYSALAVALGLY
16   PROTYRVALVALTHRLYSALAMETALASER
17   GLYVALSERALACYSLEUALATHRPROPHE
18   LYSILEHISGLYVALASNTYRSERILESER
19   SERALACYSALATHRSERALAHISCYSILE
20   GLYASNALAVALGLUGLNILEGLNLEUGLY
21   LYSGLNASPILEVALPHEALAGLYGLYGLY
22   GLUGLULEUCYSTRPGLUMETALACYSGLU
23   PHEASPALAMETGLYALALEUSERTHRLYS
24   TYRASNASPTHRPROGLULYSALASERARG
25   THRTYRASPALAHISARGASPGLYPHEVAL
26   ILEALAGLYGLYGLYGLYMETVALVALVAL
27   GLUGLULEUGLUHISALALEUALAARGGLY
28   ALAHISILETYRALAGLUILEVALGLYTYR
29   GLYALATHRSERASPGLYALAASPMETVAL
30   ALAPROSERGLYGLUGLYALAVALARGCYS
31   METLYSMETALAMETHISGLYVALASPTHR
32   PROILEASPTYRLEUASNSERHISGLYTHR
33   SERTHRPROVALGLYASPVALLYSGLULEU
34   ALAALAILEARGGLUVALPHEGLYASPLYS
35   SERPROALAILESERALATHRLYSALAMET
36   THRGLYHISSERLEUGLYALAALAGLYVAL
37   GLNGLUALAILETYRSERLEULEUMETLEU
38   GLUHISGLYPHEILEALAPROSERILEASN
39   ILEGLUGLULEUASPGLUGLNALAALAGLY
40   LEUASNILEVALTHRGLUTHRTHRASPARG
41   GLULEUTHRTHRVALMETSERASNSERPHE
42   GLYPHEGLYGLYTHRASNALATHRLEUVAL
43   METARGLYSLEULYSASP

Samples:

wt_AcpP_0.0eqFabB: wt_AcpP, [U-2H; U-15N], 205 uM; potassium phosphate 50 mM; sodium azide 0.001%; TCEP 2.5 mM

wt_AcpP_0.5eqFabB: wt_AcpP, [U-2H; U-15N], 205 uM; potassium phosphate 50 mM; sodium azide 0.001%; TCEP 2.5 mM; FabB 98.8 uM

wt_AcpP_1.0eqFabB: wt_AcpP, [U-2H; U-15N], 205 uM; potassium phosphate 50 mM; sodium azide 0.001%; TCEP 2.5 mM; FabB 201 uM

wt_AcpP_1.5eqFabB: wt_AcpP, [U-2H; U-15N], 205 uM; potassium phosphate 50 mM; sodium azide 0.001%; TCEP 2.5 mM; FabB 297 uM

wt_AcpP_2.0eqFabB: wt_AcpP, [U-2H; U-15N], 205 uM; potassium phosphate 50 mM; sodium azide 0.001%; TCEP 2.5 mM; FabB 398 uM

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCwt_AcpP_0.0eqFabBisotropicsample_conditions_1
2D 1H-15N HSQCwt_AcpP_0.5eqFabBisotropicsample_conditions_1
2D 1H-15N HSQCwt_AcpP_1.0eqFabBisotropicsample_conditions_1
2D 1H-15N HSQCwt_AcpP_1.5eqFabBisotropicsample_conditions_1
2D 1H-15N HSQCwt_AcpP_2.0eqFabBisotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

NCBI 944805 946799

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