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BMRB Entry 17418

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17418
MolProbity Validation Chart

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Title: Backbone and sidechain assignments of intein from DNA polymerase II of Pyrococcus abyssi   PubMed: 21519863

Deposition date: 2011-01-20 Original release date: 2011-05-03

Authors: Liu, Jiajing; Du, Zhenming; Albracht, Clay; Mills, Ken; Wang, Chunyu

Citation: Liu, Jiajing; Du, Zhenming; Albracht, Clayton; Naidu, Roshni; Mills, Kenneth; Wang, Chunyu. "(1)H, (13)C, and (15)N NMR assignments of the Pyrococcus abyssi DNA polymerase II intein."  Biomol. NMR Assignments 5, 233-235 (2011).

Assembly members:
Pab_PolII, polymer, 185 residues, Formula weight is not available

Natural source:   Common Name: Pyrococcus abyssi   Taxonomy ID: 29292   Superkingdom: Archaea   Kingdom: not available   Genus/species: Pyrococcus abyssi

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

Entity Sequences (FASTA):
Pab_PolII: CFPGDTRILVQIDGVPQKIT LRELYELFEDERYENMVYVR KKPKREIKVYSIDLETGKVV LTDIEDVIKAPATDHLIRFE LEDGRSFETTVDHPVLVYEN GRFIEKRAFEVKEGDKVLVS ELELVEQSSSSQDNPKNENL GSPEHDQLLEIKNIKYVRAN DDFVFSLNAKKYHNVIINEN IVTHQ

Data sets:
Data typeCount
13C chemical shifts585
15N chemical shifts183
1H chemical shifts1296

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Pab PolII intein domain1

Entities:

Entity 1, Pab PolII intein domain 185 residues - Formula weight is not available

1   CYSPHEPROGLYASPTHRARGILELEUVAL
2   GLNILEASPGLYVALPROGLNLYSILETHR
3   LEUARGGLULEUTYRGLULEUPHEGLUASP
4   GLUARGTYRGLUASNMETVALTYRVALARG
5   LYSLYSPROLYSARGGLUILELYSVALTYR
6   SERILEASPLEUGLUTHRGLYLYSVALVAL
7   LEUTHRASPILEGLUASPVALILELYSALA
8   PROALATHRASPHISLEUILEARGPHEGLU
9   LEUGLUASPGLYARGSERPHEGLUTHRTHR
10   VALASPHISPROVALLEUVALTYRGLUASN
11   GLYARGPHEILEGLULYSARGALAPHEGLU
12   VALLYSGLUGLYASPLYSVALLEUVALSER
13   GLULEUGLULEUVALGLUGLNSERSERSER
14   SERGLNASPASNPROLYSASNGLUASNLEU
15   GLYSERPROGLUHISASPGLNLEULEUGLU
16   ILELYSASNILELYSTYRVALARGALAASN
17   ASPASPPHEVALPHESERLEUASNALALYS
18   LYSTYRHISASNVALILEILEASNGLUASN
19   ILEVALTHRHISGLN

Samples:

sample_1: sodium phosphate 20 mM; EDTA 0.5 mM; sodium azide 0.05 mM; Pab PolII, [U-98% 13C; U-98% 15N], 2 mM

Sample_2: sodium phosphate 20 mM; sodium azide 0.05 mM; EDTA 0.5 mM; Pab PolII, [U-13C; U-15N; U-2H], 1.2 mM

Sample_3: sodium phosphate 20 mM; EDTA 0.5 mM; sodium azide 0.05 mM; Pab PolII, [U-98% 15N], 2 mM

Sample_4: sodium phosphate 20 mM; EDTA 0.5 mM; sodium azide 0.05 mM; Pab PolII, [U-98% 13C; U-98% 15N], 2 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 320 K

Experiments:

NameSampleSample stateSample conditions
3D HNCACBSample_2isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYSample_3isotropicsample_conditions_1
3D 1H-15N TOCSYSample_3isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticSample_4isotropicsample_conditions_1
3D HCCH-TOCSYSample_4isotropicsample_conditions_1

Software:

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

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

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker ARX 800 MHz
  • Bruker ARX 600 MHz

Related Database Links:

PDB
EMBL CAB49044
REF WP_010867244
SP Q9V2F4
TPE CCE69496

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts