BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 6881

Title: 1H, 13C and 15N chemical shift assignments of Schistocerca gregaria chymotrypsin inhibitor complexed with bovine chymotrypsin   PubMed: 16623717

Authors: Gaspari, Zoltan; Szenthe, Borbala; Patthy, Andras; Westler, William; Graf, Laszlo; Perczel, Andras

Citation: Gaspari, Zoltan; Szenthe, Borbala; Patthy, Andras; Westler, William; Graf, Laszlo; Perczel, Andras. "Local binding with globally distributed changes in a small protease inhibitor upon enzyme binding"  FEBS J. 273, 1831-1842 (2006).

Assembly members:
Schistocerca gregaria chymotrypsin inhibitor, polymer, 35 residues, Formula weight is not available
bovine alpha-chymotrypsin, polymer, 241 residues, Formula weight is not available

Natural source:   Common Name: desert locust   Taxonomy ID: 7010   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Schistocerca Gregaria

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

Entity Sequences (FASTA):
Schistocerca gregaria chymotrypsin inhibitor: EVTCEPGTTFKDKCNTCRCG SDGKSAACTLKACPQ
bovine alpha-chymotrypsin: CGVPAIQPVLSGLIVNGEEA VPGSWPWQVSLQDKTGFHFC GGSLINENWVVTAAHCGVTT SDVVVAGEFDQGSSSEKIQK LKIAKVFKNSKYNSLTINND ITLLKLSTAASFSQTVSAVC LPSASDDFAAGTTCVTTGWG LTRYTNTPDRLQQASLPLLS NTNCKKYWGTKIKDAMICAG ASGVSSCMGDSGGPLVCKKN GAWTLVGIVSWGSSTCSTST PGVYARVTALVNWVQQTLAA N

Data sets:
Data typeCount
13C chemical shifts33
15N chemical shifts18
1H chemical shifts18
T1 relaxation values18
T2 relaxation values18

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1sgci1
2bovine alpha-chymotrypsin2

Entities:

Entity 1, sgci 35 residues - Formula weight is not available

1   GLUVALTHRCYSGLUPROGLYTHRTHRPHE
2   LYSASPLYSCYSASNTHRCYSARGCYSGLY
3   SERASPGLYLYSSERALAALACYSTHRLEU
4   LYSALACYSPROGLN

Entity 2, bovine alpha-chymotrypsin 241 residues - Formula weight is not available

1   CYSGLYVALPROALAILEGLNPROVALLEU
2   SERGLYLEUILEVALASNGLYGLUGLUALA
3   VALPROGLYSERTRPPROTRPGLNVALSER
4   LEUGLNASPLYSTHRGLYPHEHISPHECYS
5   GLYGLYSERLEUILEASNGLUASNTRPVAL
6   VALTHRALAALAHISCYSGLYVALTHRTHR
7   SERASPVALVALVALALAGLYGLUPHEASP
8   GLNGLYSERSERSERGLULYSILEGLNLYS
9   LEULYSILEALALYSVALPHELYSASNSER
10   LYSTYRASNSERLEUTHRILEASNASNASP
11   ILETHRLEULEULYSLEUSERTHRALAALA
12   SERPHESERGLNTHRVALSERALAVALCYS
13   LEUPROSERALASERASPASPPHEALAALA
14   GLYTHRTHRCYSVALTHRTHRGLYTRPGLY
15   LEUTHRARGTYRTHRASNTHRPROASPARG
16   LEUGLNGLNALASERLEUPROLEULEUSER
17   ASNTHRASNCYSLYSLYSTYRTRPGLYTHR
18   LYSILELYSASPALAMETILECYSALAGLY
19   ALASERGLYVALSERSERCYSMETGLYASP
20   SERGLYGLYPROLEUVALCYSLYSLYSASN
21   GLYALATRPTHRLEUVALGLYILEVALSER
22   TRPGLYSERSERTHRCYSSERTHRSERTHR
23   PROGLYVALTYRALAARGVALTHRALALEU
24   VALASNTRPVALGLNGLNTHRLEUALAALA
25   ASN

Samples:

sample_1: Schistocerca gregaria chymotrypsin inhibitor, [U-15N], 0.68 mM; bovine alpha-chymotrypsin 0.85 mM

sample_2: Schistocerca gregaria chymotrypsin inhibitor, [U-13C; U-15N], 0.68 mM; bovine alpha-chymotrypsin 0.85 mM

ex-cond_1: pH: 6.0 na; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
1H-15N HSQCnot availablenot availablenot available
15N T1not availablenot availablenot available
15N T2not availablenot availablenot available
1H,15N NOEnot availablenot availablenot available
HNCAnot availablenot availablenot available
HNCOCAnot availablenot availablenot available
HNCACBnot availablenot availablenot available
CBCACONHnot availablenot availablenot available

Software:

XEASY v1.3.6, ETH Zurich - peak assignment

NMR spectrometers:

  • Bruker DRX 500 MHz
  • Varian Inova 600 MHz
  • Varian Inova 900 MHz

Related Database Links: