BMRB Entry 50454

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50454

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Title:
human PARP-1 CAT domain HN, N, CA and CB assignments and backbone amide group 15N relaxation data
Deposition date:
2020-09-03
Original release date:
2020-09-15
Authors:
Ogden, Tom; Yang, Ji-Chun; Neuhaus, David
Citation:

Citation: Ogden, Tom; Yang, Ji-Chun; Schimpl, Marianne; Easton, Laura; Underwood, Elizabeth; Rawlins, Philip; McCauley, Michael; Langelier, Marie-France; Pascal, John; Embrey, Kevin; Neuhaus, David. "Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition"  Nucleic Acids Res. 49, 2266-2288 (2021).
PubMed: 33511412

Assembly members:

Assembly members:
entity_1, polymer, 360 residues, Formula weight is not available

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: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GTVNPGTKSKLPKPVQDLIK MIFDVESMKKAMVEYEIDLQ KMPLGKLSKRQIQAAYSILS EVQQAVSQGSSDSQILDLSN RFYTLIPHDFGMKKPPLLNN ADSVQAKAEMLDNLLDIEVA YSLLRGGSDDSSKDPIDVNY EKLKTDIKVVDRDSEEAEII RKYVKNTHATTHNAYDLEVI DIFKIEREGECQRYKPFKQL HNRRLLWHGSRTTNFAGILS QGLRIAPPEAPVTGYMFGKG IYFADMVSKSANYCHTSQGD PIGLILLGEVALGNMYELKH ASHISKLPKGKHSVKGLGKT TPDPSANISLDGVDVPLGTG ISSGVNDTSLLYNEYIVYDI AQVNLKYLLKLKFNFKTSLW

Data sets:
Data typeCount
13C chemical shifts657
15N chemical shifts663
1H chemical shifts665
T1 relaxation values328
T1rho relaxation values325
heteronuclear NOE values327

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PARP-1_CAT_domain1

Entities:

Entity 1, PARP-1_CAT_domain 360 residues - Formula weight is not available

The first residue in the sequence supplied here is a non-native glycine arising from cloning. The remaining residues are residues 656-1014 of human PARP-1 (the isoform having Ala at position 762).

1   GLYTHRVALASNPROGLYTHRLYSSERLYS
2   LEUPROLYSPROVALGLNASPLEUILELYS
3   METILEPHEASPVALGLUSERMETLYSLYS
4   ALAMETVALGLUTYRGLUILEASPLEUGLN
5   LYSMETPROLEUGLYLYSLEUSERLYSARG
6   GLNILEGLNALAALATYRSERILELEUSER
7   GLUVALGLNGLNALAVALSERGLNGLYSER
8   SERASPSERGLNILELEUASPLEUSERASN
9   ARGPHETYRTHRLEUILEPROHISASPPHE
10   GLYMETLYSLYSPROPROLEULEUASNASN
11   ALAASPSERVALGLNALALYSALAGLUMET
12   LEUASPASNLEULEUASPILEGLUVALALA
13   TYRSERLEULEUARGGLYGLYSERASPASP
14   SERSERLYSASPPROILEASPVALASNTYR
15   GLULYSLEULYSTHRASPILELYSVALVAL
16   ASPARGASPSERGLUGLUALAGLUILEILE
17   ARGLYSTYRVALLYSASNTHRHISALATHR
18   THRHISASNALATYRASPLEUGLUVALILE
19   ASPILEPHELYSILEGLUARGGLUGLYGLU
20   CYSGLNARGTYRLYSPROPHELYSGLNLEU
21   HISASNARGARGLEULEUTRPHISGLYSER
22   ARGTHRTHRASNPHEALAGLYILELEUSER
23   GLNGLYLEUARGILEALAPROPROGLUALA
24   PROVALTHRGLYTYRMETPHEGLYLYSGLY
25   ILETYRPHEALAASPMETVALSERLYSSER
26   ALAASNTYRCYSHISTHRSERGLNGLYASP
27   PROILEGLYLEUILELEULEUGLYGLUVAL
28   ALALEUGLYASNMETTYRGLULEULYSHIS
29   ALASERHISILESERLYSLEUPROLYSGLY
30   LYSHISSERVALLYSGLYLEUGLYLYSTHR
31   THRPROASPPROSERALAASNILESERLEU
32   ASPGLYVALASPVALPROLEUGLYTHRGLY
33   ILESERSERGLYVALASNASPTHRSERLEU
34   LEUTYRASNGLUTYRILEVALTYRASPILE
35   ALAGLNVALASNLEULYSTYRLEULEULYS
36   LEULYSPHEASNPHELYSTHRSERLEUTRP

Samples:

sample_1: human PARP-1 CAT domain, [U-13C; U-15N; U-2H], 0.2 mM; TRIS, [U-2H], 50 mM; sodium chloride 50 mM; DTT, [U-2H], 2 mM

sample_2: human PARP-1 CAT domain, [U-15N]-Lys, 0.15 mM; TRIS, [U-2H], 50 mM; sodium chloride 50 mM; DTT, [U-2H], 2 mM

sample_3: human PARP-1 CAT domain, [U-15N]-Arg, 0.25 mM; TRIS, [U-2H], 50 mM; sodium chloride 50 mM; DTT, [U-2H], 2 mM

sample_4: human PARP-1 CAT domain, [U-15N]-Leu, 0.4 mM; TRIS, [U-2H], 50 mM; sodium chloride 50 mM; DTT, [U-2H], 2 mM

sample_5: human PARP-1 CAT domain, [U-15N]-Ile, 0.4 mM; TRIS, [U-2H], 50 mM; sodium chloride 50 mM; DTT, [U-2H], 2 mM

sample_6: human PARP-1 CAT domain, [U-15N], 0.4 mM; TRIS, [U-2H], 50 mM; sodium chloride 50 mM; DTT, [U-2H], 2 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 303 K

sample_conditions_2: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_2isotropicsample_conditions_1
2D 1H-15N TROSYsample_3isotropicsample_conditions_1
2D 1H-15N TROSYsample_4isotropicsample_conditions_1
2D 1H-15N TROSYsample_5isotropicsample_conditions_1
3D 15N-separated NOESYsample_6isotropicsample_conditions_2
2D 1H-15N HSQCsample_6isotropicsample_conditions_2
2D 1H-15N TROSYsample_6isotropicsample_conditions_2
2D 1H-15N TROSY-based steady-state 15N{1H} NOE measurementsample_6isotropicsample_conditions_2
2D 1H-15N TROSY-based 15N T1 measurementsample_6isotropicsample_conditions_2
2D 1H-15N TROSY-based 15N T1rho measurementsample_6isotropicsample_conditions_2

Software:

TOPSPIN v3.2 and 3.5 - processing

MddNMR v2.4 - processing

NMRPipe v8.7 - processing

ANALYSIS v2.4.2 - data analysis

SPARKY v3.115 - data analysis

NMR spectrometers:

  • Bruker AVANCE III 600 MHz
  • Bruker AVANCE III HD 800 MHz
  • Bruker AVANCE III HD 950 MHz

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