BMRB Entry 28139

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28139

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Title:
Backbone resonance assignment of dopamine N-acetyltransferase (Dat) in complex with Ac-CoA
Deposition date:
2020-08-26
Original release date:
2020-11-02
Authors:
Wu, Chu-Ya; Lee, Yi-Zong; Hu, I-Chen; Chiu, Liang-Yuan; Ding, Wei-Cheng; Wang, Jing; Sue, Shih-Che; Tate, Shin-ichi; Lyu, Ping-Chiang
Citation:

Citation: Wu, Chu-Ya; Hu, I-Chen; Yang, Yi-Chen; Ding, Wei-Cheng; Lai, Chih-Hsuan; Lee, Yi-Zong; Liu, Yi-Chung; Cheng, Hui-Chun; Lyu, Ping-Chiang. "An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase"  Commun. Biol. 3, 441-441 (2020).
PubMed: 32796911

Assembly members:

Assembly members:
Dat_(dopamine_N-acetyltransferase), polymer, 214 residues, 24412.06 Da.
entity_ACO, non-polymer, 809.571 Da.

Natural source:

Natural source:   Common Name: fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Dat_(dopamine_N-acetyltransferase): GSHMPYTIELIQPEDGEAVI AMLKTFFFKDEPLNTFLDLG ECKELEKYSLKPLPDNCSYK AVNKKGEIIGVFLNGLMRRP SPDDVPEKAADSCEHPKFKK ILSLMDHVEEQFNIFDVYPD EELILDGKILSVDTNYRGLG IAGRLTERAYEYMRENGINV YHVLCSSHYSARVMEKLGFH EVFRMQFADYKPQGEVVFKP AAPHVGIQVMAKEV

Data sets:
Data typeCount
13C chemical shifts586
15N chemical shifts192
1H chemical shifts192

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Dat1
2Ac-CoA2

Entities:

Entity 1, Dat 214 residues - 24412.06 Da.

A truncated Dat (residues 21-230) was used. The three amino acids GSH remain after protease cleavage.

1   GLYSERHISMETPROTYRTHRILEGLULEU
2   ILEGLNPROGLUASPGLYGLUALAVALILE
3   ALAMETLEULYSTHRPHEPHEPHELYSASP
4   GLUPROLEUASNTHRPHELEUASPLEUGLY
5   GLUCYSLYSGLULEUGLULYSTYRSERLEU
6   LYSPROLEUPROASPASNCYSSERTYRLYS
7   ALAVALASNLYSLYSGLYGLUILEILEGLY
8   VALPHELEUASNGLYLEUMETARGARGPRO
9   SERPROASPASPVALPROGLULYSALAALA
10   ASPSERCYSGLUHISPROLYSPHELYSLYS
11   ILELEUSERLEUMETASPHISVALGLUGLU
12   GLNPHEASNILEPHEASPVALTYRPROASP
13   GLUGLULEUILELEUASPGLYLYSILELEU
14   SERVALASPTHRASNTYRARGGLYLEUGLY
15   ILEALAGLYARGLEUTHRGLUARGALATYR
16   GLUTYRMETARGGLUASNGLYILEASNVAL
17   TYRHISVALLEUCYSSERSERHISTYRSER
18   ALAARGVALMETGLULYSLEUGLYPHEHIS
19   GLUVALPHEARGMETGLNPHEALAASPTYR
20   LYSPROGLNGLYGLUVALVALPHELYSPRO
21   ALAALAPROHISVALGLYILEGLNVALMET
22   ALALYSGLUVAL

Entity 2, Ac-CoA - C23 H38 N7 O17 P3 S - 809.571 Da.

1   ACO

Samples:

sample_1: Dat (dopamine N-acetyltransferase), [U-13C; U-15N; U-2H], 1 mM; Acetyl-CoA 3 mM; Tris-HCl 50 mM; DTT 1 mM; NaCl 100 mM; DSS 0.2 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

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

SPARKY, Goddard - peak picking

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance III HD 850 MHz

Related Database Links:

PDB

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