BMRB Entry 27314

Title:
Acidothermus cellulolyticus endoglucanase 1 catalytic domain Y245G (E1)
Deposition date:
2017-11-16
Original release date:
2017-12-04
Authors:
Summers, Samantha; Kaar, Joel; Summers, Michael; Marchant, Jan
Citation:

Citation: Summers, Samantha; Sprenger, Kayla; Pfaendtner, Jim; Marchant, Jan; Summers, Michael; Kaar, Joel. "Mechanism of Competitive Inhibition and Destabilization of Acidothermus cellulolyticus Endoglucanase 1 by Ionic Liquids"  J. Phys. Chem. B 121, 10793-10803 (2017).
PubMed: 29120187

Assembly members:

Assembly members:
E1_Y245G, polymer, 361 residues, 40502 Da.

Natural source:

Natural source:   Common Name: Acidothermus cellulolyticus   Taxonomy ID: 28049   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Acidothermus cellulolyticus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-21

Data sets:
Data typeCount
13C chemical shifts803
15N chemical shifts247
1H chemical shifts247

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1E1 Y245G1

Entities:

Entity 1, E1 Y245G 361 residues - 40502 Da.

1   METLYSLEUALAGLYGLYGLYTYRTRPHIS
2   THRSERGLYARGGLUILELEUASPALAASN
3   ASNVALPROVALARGILEALAGLYILEASN
4   TRPPHEGLYPHEGLUTHRCYSASNTYRVAL
5   VALHISGLYLEUTRPSERARGASPTYRARG
6   SERMETLEUASPGLNILELYSSERLEUGLY
7   TYRASNTHRILEARGLEUPROTYRSERASP
8   ASPILELEULYSPROGLYTHRMETPROASN
9   SERILEASNPHETYRGLNMETASNGLNASP
10   LEUGLNGLYLEUTHRSERLEUGLNVALMET
11   ASPLYSILEVALALATYRALAGLYGLNILE
12   GLYLEUARGILEILELEUASPARGHISARG
13   PROASPCYSSERGLYGLNSERALALEUTRP
14   TYRTHRSERSERVALSERGLUALATHRTRP
15   ILESERASPLEUGLNALALEUALAGLNARG
16   TYRLYSGLYASNPROTHRVALVALGLYPHE
17   ASPLEUHISASNGLUPROHISASPPROALA
18   CYSTRPGLYCYSGLYASPPROSERILEASP
19   TRPARGLEUALAALAGLUARGALAGLYASN
20   ALAVALLEUSERVALASNPROASNLEULEU
21   ILEPHEVALGLUGLYVALGLNSERTYRASN
22   GLYASPSERTYRTRPTRPGLYGLYASNLEU
23   GLNGLYALAGLYGLNTYRPROVALVALLEU
24   ASNVALPROASNARGLEUVALTYRSERALA
25   HISASPTYRALATHRSERVALGLYPROGLN
26   THRTRPPHESERASPPROTHRPHEPROASN
27   ASNMETPROGLYILETRPASNLYSASNTRP
28   GLYTYRLEUPHEASNGLNASNILEALAPRO
29   VALTRPLEUGLYGLUPHEGLYTHRTHRLEU
30   GLNSERTHRTHRASPGLNTHRTRPLEULYS
31   THRLEUVALGLNTYRLEUARGPROTHRALA
32   GLNTYRGLYALAASPSERPHEGLNTRPTHR
33   PHETRPSERTRPASNPROASPSERGLYASP
34   THRGLYGLYILELEULYSASPASPTRPGLN
35   THRVALASPTHRVALLYSASPGLYTYRLEU
36   ALAPROILELYSSERSERILEPHEASPPRO
37   VAL

Samples:

E1_Y245G_sample: E1 Y245G, [U-13C; U-15N], 150 mM; Na phosphate 25 mM

E1_sample_conditions: ionic strength: 25 mM; pH: 7.2; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCE1_Y245G_sampleisotropicE1_sample_conditions
3D CBCA(CO)NHE1_Y245G_sampleisotropicE1_sample_conditions
3D HNCOE1_Y245G_sampleisotropicE1_sample_conditions
3D HNCAE1_Y245G_sampleisotropicE1_sample_conditions
3D HNCACBE1_Y245G_sampleisotropicE1_sample_conditions
3D HN(CO)CAE1_Y245G_sampleisotropicE1_sample_conditions
3D HCACOE1_Y245G_sampleisotropicE1_sample_conditions

Software:

NMRFx_Processor_and_NMRViewJ, Bruce Johnson - peak picking, processing

MARS, Markus Zweckstetter - chemical shift assignment

PINE, Arash Bahrami - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz

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