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Biological Magnetic Resonance Data Bank


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BMRB Entry 50783

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50783

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Title: NMR chemical shift assignments of a module of unknown function in cellulosomal secondary scaffoldin ScaF from Clostridium thermocellum   PubMed: 33876380

Deposition date: 2021-02-20 Original release date: 2021-05-18

Authors: Li, Jie; Feng, Yingang

Citation: Li, Jie; Chen, Chao; Liu, Ya-Jun; Cui, Qiu; Bayer, Edward; Feng, Yingang. "NMR chemical shift assignments of a module of unknown function in the cellulosomal secondary scaffoldin ScaF from Clostridium thermocellum"  Biomol. NMR Assignments 15, 329-334 (2021).

Assembly members:
entity_1, polymer, 228 residues, Formula weight is not available

Natural source:   Common Name: Hungateiclostridium thermocellum   Taxonomy ID: 1515   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Hungateiclostridium thermocellum

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET30a

Entity Sequences (FASTA):
entity_1: MSAKVELEPVLDNATGEAKA AIDEEKLNKALDEAKKSEDD KLVELNIKKVENADAYIQQL PAKFLIKSDAEYKLRIATEQ GIIEVPANMLNTADISKLVK NDSVVEFVIRKVKVDELGAE LKEKIGNRPVIDISVVVDGK KVEWSNYKAKVKISIPYKPD AKELENHEHIVVLHIDDAGK AVSVPSGKYEPSLGVVTFET NHLSKYAVSYVYKTFADIGS LEHHHHHH

Data sets:
Data typeCount
13C chemical shifts1005
15N chemical shifts227
1H chemical shifts1624

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ScaF-X1

Entities:

Entity 1, ScaF-X 228 residues - Formula weight is not available

1   METSERALALYSVALGLULEUGLUPROVAL
2   LEUASPASNALATHRGLYGLUALALYSALA
3   ALAILEASPGLUGLULYSLEUASNLYSALA
4   LEUASPGLUALALYSLYSSERGLUASPASP
5   LYSLEUVALGLULEUASNILELYSLYSVAL
6   GLUASNALAASPALATYRILEGLNGLNLEU
7   PROALALYSPHELEUILELYSSERASPALA
8   GLUTYRLYSLEUARGILEALATHRGLUGLN
9   GLYILEILEGLUVALPROALAASNMETLEU
10   ASNTHRALAASPILESERLYSLEUVALLYS
11   ASNASPSERVALVALGLUPHEVALILEARG
12   LYSVALLYSVALASPGLULEUGLYALAGLU
13   LEULYSGLULYSILEGLYASNARGPROVAL
14   ILEASPILESERVALVALVALASPGLYLYS
15   LYSVALGLUTRPSERASNTYRLYSALALYS
16   VALLYSILESERILEPROTYRLYSPROASP
17   ALALYSGLULEUGLUASNHISGLUHISILE
18   VALVALLEUHISILEASPASPALAGLYLYS
19   ALAVALSERVALPROSERGLYLYSTYRGLU
20   PROSERLEUGLYVALVALTHRPHEGLUTHR
21   ASNHISLEUSERLYSTYRALAVALSERTYR
22   VALTYRLYSTHRPHEALAASPILEGLYSER
23   LEUGLUHISHISHISHISHISHIS

Samples:

sample_1: ScaF-X, [U-13C; U-15N], 0.85 mM; Bis-Tris 20 mM; DSS 0.02 % w/v

sample_conditions_1: ionic strength: 20 mM; pH: 6.3; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HBHANHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRPipe - processing

MARS - chemical shift assignment

NMRViewJ - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

Related Database Links:

UNP P71143
AlphaFold P71143

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