BMRB Entry 15706

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15706

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Title:
Backbone Chemical Shift Assignments for DPF inhibited Mature Subtilisin E
Deposition date:
2008-04-01
Original release date:
2008-08-08
Authors:
Chen, Yu-Jen; Wu, Kuen-Phon; Kim, Seho; Falzon, Liliana; Inouye, Masayori; Baum, Jean
Citation:

Citation: Chen, Yu-Jen; Wu, Kuen-Phon; Kim, Seho; Falzon, Liliana; Inouye, Masayori; Baum, Jean. "Backbone NMR assignments of DFP-inhibited mature subtilisin E"  Biomol. NMR Assignments 2, 131-133 (2008).
PubMed: 19636887

Assembly members:

Assembly members:
Subtilisin_E, polymer, 275 residues, Formula weight is not available
DFP, non-polymer, Formula weight is not available
CA, non-polymer, Formula weight is not available

Natural source:

Natural source:   Common Name: Bacillus subtilis   Taxonomy ID: 1423   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus subtilis

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Subtilisin_E: AQSFPYGISQIKAPALHSQG YTGSNVKVAVIDSGIDSSHP DLNVRGGASFVPSETNPYQD GSSHGTHVAGTIAALNNSIG VLGVAPSASLYAVKVLDSTG SGQYSWIINGIEWAISNNMD VINMSLGGPTGSTALKTVVD KAVSSGIVVAAAAGNEGSSG STSTVGYPAKYPSTIAVGAV NSSNQRASFSSAGSELDVMA PGVSIQSTLPGGTYGAYNGT SMATPHVAGAAALILSKHPT WTNAQVRDRLESTATYLGNS FYYGKGLINVQAAAQ

Data sets:
Data typeCount
13C chemical shifts776
15N chemical shifts252
1H chemical shifts252

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Subtilisin E1
2DFP2
3Calcium3

Entities:

Entity 1, Subtilisin E 275 residues - Formula weight is not available

1   ALAGLNSERPHEPROTYRGLYILESERGLN
2   ILELYSALAPROALALEUHISSERGLNGLY
3   TYRTHRGLYSERASNVALLYSVALALAVAL
4   ILEASPSERGLYILEASPSERSERHISPRO
5   ASPLEUASNVALARGGLYGLYALASERPHE
6   VALPROSERGLUTHRASNPROTYRGLNASP
7   GLYSERSERHISGLYTHRHISVALALAGLY
8   THRILEALAALALEUASNASNSERILEGLY
9   VALLEUGLYVALALAPROSERALASERLEU
10   TYRALAVALLYSVALLEUASPSERTHRGLY
11   SERGLYGLNTYRSERTRPILEILEASNGLY
12   ILEGLUTRPALAILESERASNASNMETASP
13   VALILEASNMETSERLEUGLYGLYPROTHR
14   GLYSERTHRALALEULYSTHRVALVALASP
15   LYSALAVALSERSERGLYILEVALVALALA
16   ALAALAALAGLYASNGLUGLYSERSERGLY
17   SERTHRSERTHRVALGLYTYRPROALALYS
18   TYRPROSERTHRILEALAVALGLYALAVAL
19   ASNSERSERASNGLNARGALASERPHESER
20   SERALAGLYSERGLULEUASPVALMETALA
21   PROGLYVALSERILEGLNSERTHRLEUPRO
22   GLYGLYTHRTYRGLYALATYRASNGLYTHR
23   SERMETALATHRPROHISVALALAGLYALA
24   ALAALALEUILELEUSERLYSHISPROTHR
25   TRPTHRASNALAGLNVALARGASPARGLEU
26   GLUSERTHRALATHRTYRLEUGLYASNSER
27   PHETYRTYRGLYLYSGLYLEUILEASNVAL
28   GLNALAALAALAGLN

Entity 2, DFP - Formula weight is not available

1   DFP

Entity 3, Calcium - Formula weight is not available

1   CA

Samples:

sample_1: Subtilisin E, [U-13C; U-15N], 0.3 mM; DFP 0.3 mM; MES 25 mM; calcium chloride 100 mM

sample_conditions_1: ionic strength: 0.32 M; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

NMRPipe v2007.030.16.06, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.113, Goddard - peak picking

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, peak picking

AutoLink v0.81, James E. Masse and Rochus Keller - chemical shift assignment

PINE v1.0, National Magnetic Resonance Facility at Madison - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAA00186 BAA04989 BAI84580 BAM49945 BAM57214
EMBL CAA74536 CAB12870 CAC41625 CAE18180 CCG39575
GB AAA22247 AAA22742 AAB47045 AAC60424 AAK54130
PRF 1203267A 1408206A 1903156A
REF NP_388911 WP_003233171 WP_003239459 WP_009966941 WP_010333625
SP P00783 P04189 P07518 P29142 P35835
AlphaFold P00783 P04189 P07518 P29142 P35835

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