BMRB Entry 51894

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51894

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Title:
human full-length PARP-1 protein DNA-bound 1H and 15N partial assignments
Deposition date:
2023-03-31
Original release date:
2023-06-19
Authors:
Yang, Ji-Chun; Easton, Laura; Neuhaus, David
Citation:

Citation: Suskiewicz, Marcin; Munnur, Deeksha; Stromland, Oyvind; Yang, Ji-Chun; Easton, Laura; Chatrin, Chatrin; Zhu, Kang; Baretic, Domagoj; Goffinont, Stephane; Schuller, Marion; Wu, Wing-Fung; Elkins, Jonathan; Ahel, Dragana; Sanyal, Sumana; Neuhaus, David; Ahel, Ivan. "Updated protein domain annotation of the PARP protein family sheds new light on biological function"  Nucleic Acids Res. 51, 8217-8236 (2023).
PubMed: 37326024

Assembly members:

Assembly members:
entity_1, polymer, 1024 residues, Formula weight is not available
entity_2, polymer, 45 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: PQE7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MKHHHHHHMKQAESSDKLYR VEYAKSGRASCKKCSESIPK DSLRMAIMVQSPMFDGKVPH WYHFSCFWKVGHSIRHPDVE VDGFSELRWDDQQKVKKTAE AGGVTGKGQDGIGSKAEKTL GDFAAEYAKSNRSTCKGCME KIEKGQVRLSKKMVDPEKPQ LGMIDRWYHPGCFVKNREEL GFRPEYSASQLKGFSLLATE DKEALKKQLPGVKSEGKRKG DEVDGVDEVAKKKSKKEKDK DSKLEKALKAQNDLIWNIKD ELKKVCSTNDLKELLIFNKQ QVPSGESAILDRVADGMVFG ALLPCEECSGQLVFKSDAYY CTGDVTAWTKCMVKTQTPNR KEWVTPKEFREISYLKKLKV KKQDRIFPPETSASVAATPP PSTASAPAAVNSSASADKPL SNMKILTLGKLSRNKDEVKA MIEKLGGKLTGTANKASLCI STKKEVEKMNKKMEEVKEAN IRVVSEDFLQDVSASTKSLQ ELFLAHILSPWGAEVKAEPV EVVAPRGKSGAALSKKSKGQ VKEEGINKSEKRMKLTLKGG AAVDPDSGLEHSAHVLEKGG KVFSATLGLVDIVKGTNSYY KLQLLEDDKENRYWIFRSWG RVGTVIGSNKLEQMPSKEDA IEHFMKLYEEKTGNAWHSKN FTKYPKKFYPLEIDYGQDEE AVKKLTVNPGTKSKLPKPVQ DLIKMIFDVESMKKAMVEYE IDLQKMPLGKLSKRQIQAAY SILSEVQQAVSQGSSDSQIL DLSNRFYTLIPHDFGMKKPP LLNNADSVQAKAEMLDNLLD IEVAYSLLRGGSDDSSKDPI DVNYEKLKTDIKVVDRDSEE AEIIRKYVKNTHATTHNAYD LEVIDIFKIEREGECQRYKP FKQLHNRRLLWHGSRTTNFA GILSQGLRIAPPEAPVTGYM FGKGIYFADMVSKSANYCHT SQGDPIGLILLGEVALGNMY ELKHASHISKLPKGKHSVKG LGKTTPDPSANISLDGVDVP LGTGISSGVNDTSLLYNEYI VYDIAQVNLKYLLKLKFNFK TSLW
entity_2: GCTGGCTTCGTAAGAAGCCA GCTCGCGGTCAGCTTGCTGA CCGCG

Data sets:
Data typeCount
15N chemical shifts272
1H chemical shifts272

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1human full-length PARP-1 protein1
245 nucleotide DNA dumbbell2
3ZINC ION, 13
4ZINC ION, 23
5ZINC ION, 33

Entities:

Entity 1, human full-length PARP-1 protein 1024 residues - Formula weight is not available

The N-terminal residues MKHHHHHHMKQ are non-native (an H6 His tag). The first native PARP1 residue is the immediately following Ala residue, which is Ala 2 of native PARP1.

1   METLYSHISHISHISHISHISHISMETLYS
2   GLNALAGLUSERSERASPLYSLEUTYRARG
3   VALGLUTYRALALYSSERGLYARGALASER
4   CYSLYSLYSCYSSERGLUSERILEPROLYS
5   ASPSERLEUARGMETALAILEMETVALGLN
6   SERPROMETPHEASPGLYLYSVALPROHIS
7   TRPTYRHISPHESERCYSPHETRPLYSVAL
8   GLYHISSERILEARGHISPROASPVALGLU
9   VALASPGLYPHESERGLULEUARGTRPASP
10   ASPGLNGLNLYSVALLYSLYSTHRALAGLU
11   ALAGLYGLYVALTHRGLYLYSGLYGLNASP
12   GLYILEGLYSERLYSALAGLULYSTHRLEU
13   GLYASPPHEALAALAGLUTYRALALYSSER
14   ASNARGSERTHRCYSLYSGLYCYSMETGLU
15   LYSILEGLULYSGLYGLNVALARGLEUSER
16   LYSLYSMETVALASPPROGLULYSPROGLN
17   LEUGLYMETILEASPARGTRPTYRHISPRO
18   GLYCYSPHEVALLYSASNARGGLUGLULEU
19   GLYPHEARGPROGLUTYRSERALASERGLN
20   LEULYSGLYPHESERLEULEUALATHRGLU
21   ASPLYSGLUALALEULYSLYSGLNLEUPRO
22   GLYVALLYSSERGLUGLYLYSARGLYSGLY
23   ASPGLUVALASPGLYVALASPGLUVALALA
24   LYSLYSLYSSERLYSLYSGLULYSASPLYS
25   ASPSERLYSLEUGLULYSALALEULYSALA
26   GLNASNASPLEUILETRPASNILELYSASP
27   GLULEULYSLYSVALCYSSERTHRASNASP
28   LEULYSGLULEULEUILEPHEASNLYSGLN
29   GLNVALPROSERGLYGLUSERALAILELEU
30   ASPARGVALALAASPGLYMETVALPHEGLY
31   ALALEULEUPROCYSGLUGLUCYSSERGLY
32   GLNLEUVALPHELYSSERASPALATYRTYR
33   CYSTHRGLYASPVALTHRALATRPTHRLYS
34   CYSMETVALLYSTHRGLNTHRPROASNARG
35   LYSGLUTRPVALTHRPROLYSGLUPHEARG
36   GLUILESERTYRLEULYSLYSLEULYSVAL
37   LYSLYSGLNASPARGILEPHEPROPROGLU
38   THRSERALASERVALALAALATHRPROPRO
39   PROSERTHRALASERALAPROALAALAVAL
40   ASNSERSERALASERALAASPLYSPROLEU
41   SERASNMETLYSILELEUTHRLEUGLYLYS
42   LEUSERARGASNLYSASPGLUVALLYSALA
43   METILEGLULYSLEUGLYGLYLYSLEUTHR
44   GLYTHRALAASNLYSALASERLEUCYSILE
45   SERTHRLYSLYSGLUVALGLULYSMETASN
46   LYSLYSMETGLUGLUVALLYSGLUALAASN
47   ILEARGVALVALSERGLUASPPHELEUGLN
48   ASPVALSERALASERTHRLYSSERLEUGLN
49   GLULEUPHELEUALAHISILELEUSERPRO
50   TRPGLYALAGLUVALLYSALAGLUPROVAL
51   GLUVALVALALAPROARGGLYLYSSERGLY
52   ALAALALEUSERLYSLYSSERLYSGLYGLN
53   VALLYSGLUGLUGLYILEASNLYSSERGLU
54   LYSARGMETLYSLEUTHRLEULYSGLYGLY
55   ALAALAVALASPPROASPSERGLYLEUGLU
56   HISSERALAHISVALLEUGLULYSGLYGLY
57   LYSVALPHESERALATHRLEUGLYLEUVAL
58   ASPILEVALLYSGLYTHRASNSERTYRTYR
59   LYSLEUGLNLEULEUGLUASPASPLYSGLU
60   ASNARGTYRTRPILEPHEARGSERTRPGLY
61   ARGVALGLYTHRVALILEGLYSERASNLYS
62   LEUGLUGLNMETPROSERLYSGLUASPALA
63   ILEGLUHISPHEMETLYSLEUTYRGLUGLU
64   LYSTHRGLYASNALATRPHISSERLYSASN
65   PHETHRLYSTYRPROLYSLYSPHETYRPRO
66   LEUGLUILEASPTYRGLYGLNASPGLUGLU
67   ALAVALLYSLYSLEUTHRVALASNPROGLY
68   THRLYSSERLYSLEUPROLYSPROVALGLN
69   ASPLEUILELYSMETILEPHEASPVALGLU
70   SERMETLYSLYSALAMETVALGLUTYRGLU
71   ILEASPLEUGLNLYSMETPROLEUGLYLYS
72   LEUSERLYSARGGLNILEGLNALAALATYR
73   SERILELEUSERGLUVALGLNGLNALAVAL
74   SERGLNGLYSERSERASPSERGLNILELEU
75   ASPLEUSERASNARGPHETYRTHRLEUILE
76   PROHISASPPHEGLYMETLYSLYSPROPRO
77   LEULEUASNASNALAASPSERVALGLNALA
78   LYSALAGLUMETLEUASPASNLEULEUASP
79   ILEGLUVALALATYRSERLEULEUARGGLY
80   GLYSERASPASPSERSERLYSASPPROILE
81   ASPVALASNTYRGLULYSLEULYSTHRASP
82   ILELYSVALVALASPARGASPSERGLUGLU
83   ALAGLUILEILEARGLYSTYRVALLYSASN
84   THRHISALATHRTHRHISASNALATYRASP
85   LEUGLUVALILEASPILEPHELYSILEGLU
86   ARGGLUGLYGLUCYSGLNARGTYRLYSPRO
87   PHELYSGLNLEUHISASNARGARGLEULEU
88   TRPHISGLYSERARGTHRTHRASNPHEALA
89   GLYILELEUSERGLNGLYLEUARGILEALA
90   PROPROGLUALAPROVALTHRGLYTYRMET
91   PHEGLYLYSGLYILETYRPHEALAASPMET
92   VALSERLYSSERALAASNTYRCYSHISTHR
93   SERGLNGLYASPPROILEGLYLEUILELEU
94   LEUGLYGLUVALALALEUGLYASNMETTYR
95   GLULEULYSHISALASERHISILESERLYS
96   LEUPROLYSGLYLYSHISSERVALLYSGLY
97   LEUGLYLYSTHRTHRPROASPPROSERALA
98   ASNILESERLEUASPGLYVALASPVALPRO
99   LEUGLYTHRGLYILESERSERGLYVALASN
100   ASPTHRSERLEULEUTYRASNGLUTYRILE
101   VALTYRASPILEALAGLNVALASNLEULYS
102   TYRLEULEULYSLEULYSPHEASNPHELYS
103   THRSERLEUTRP

Entity 2, 45 nucleotide DNA dumbbell 45 residues - Formula weight is not available

1   DGDCDTDGDGDCDTDTDCDG
2   DTDADADGDADADGDCDCDA
3   DGDCDTDCDGDCDGDGDTDC
4   DADGDCDTDTDGDCDTDGDA
5   DCDCDGDCDG

Entity 3, ZINC ION, 1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: human full-length PARP-1 protein, [U-15N], 0.0355 mM; sodium phosphate 10 mM; sodium chloride 222 mM; potassium chloride 2.7 mM; DTT, [U-2H], 2 mM; DNA_(45-MER) 0.04 mM

sample_conditions_1: ionic strength: 0.2747 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.2 - collection, processing

SPARKY v3.115 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

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