BMRB Entry 30480

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30480
MolProbity Validation Chart

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Title:
Consensus engineered intein (Cat) with atypical split site
Deposition date:
2018-06-14
Original release date:
2018-09-12
Authors:
Sekar, G.; Stevens, A.; Muir, T.; Cowburn, D.
Citation:

Citation: Stevens, A.; Sekar, G.; Gramespacher, J.; Cowburn, D.; Muir, T.. "An Atypical Mechanism of Split Intein Molecular Recognition and Folding"  J. Am. Chem. Soc. 140, 11791-11799 (2018).
PubMed: 30156841

Assembly members:

Assembly members:
Consensus engineered intein CatN, polymer, 33 residues, 3775.219 Da.
Consensus engineered intein CatC, polymer, 118 residues, 13520.253 Da.

Natural source:

Natural source:   Common Name: Enterobacteria phage T7   Taxonomy ID: 10760   Superkingdom: not available   Kingdom: not available   Genus/species: T7virus Escherichia virus T7

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Consensus engineered intein CatN: EFEALSGDTMIEILDDDGII QKISMEDLYQRLA
Consensus engineered intein CatC: DYKDDDDKMFKLNTKNIKVL TPSGFKSFSGIQKVYKPFYH HIIFDDGSEIKCSDNHSFGK DKIKASTIKVGDYLQGKKVL YNEIVEEGIYLYDLLNVGED NLYYTNGIVSHACESRGK

Data sets:
Data typeCount
13C chemical shifts617
15N chemical shifts145
1H chemical shifts1010

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 33 residues - 3775.219 Da.

1   GLUPHEGLUALALEUSERGLYASPTHRMET
2   ILEGLUILELEUASPASPASPGLYILEILE
3   GLNLYSILESERMETGLUASPLEUTYRGLN
4   ARGLEUALA

Entity 2, entity_2 118 residues - 13520.253 Da.

1   ASPTYRLYSASPASPASPASPLYSMETPHE
2   LYSLEUASNTHRLYSASNILELYSVALLEU
3   THRPROSERGLYPHELYSSERPHESERGLY
4   ILEGLNLYSVALTYRLYSPROPHETYRHIS
5   HISILEILEPHEASPASPGLYSERGLUILE
6   LYSCYSSERASPASNHISSERPHEGLYLYS
7   ASPLYSILELYSALASERTHRILELYSVAL
8   GLYASPTYRLEUGLNGLYLYSLYSVALLEU
9   TYRASNGLUILEVALGLUGLUGLYILETYR
10   LEUTYRASPLEULEUASNVALGLYGLUASP
11   ASNLEUTYRTYRTHRASNGLYILEVALSER
12   HISALACYSGLUSERARGGLYLYS

Samples:

sample_1: CatN, [U-99% 13C; U-99% 15N], 300 uM; CatC, [U-99% 13C; U-99% 15N], 300 uM; sodium phosphate 50 mM; sodium chloride 100 mM; TCEP 2 mM

sample_conditions_1: ionic strength: 150 mM; pH: 6.8; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCCONHsample_1isotropicsample_conditions_1

Software:

Analysis, CCPN - chemical shift assignment

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Bruker AvanceIII 900 MHz
  • Bruker AvanceIII 800 MHz

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