BMRB Entry 6880

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6880

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H, 13C and 15N chemical shift assignments of Schistocerca gregaria chymotrypsin inhibitor at pH=6.0

Deposition date:

2005-10-28

Original release date:

2007-11-15

Authors:

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

Citation:

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).
PubMed: 16623717

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: SGTMCI-pET17b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Schistocerca gregaria chymotrypsin inhibitor: EVTCEPGTTFKDKCNTCRCG SDGKSAACTLKACPQ

Data sets:

assigned_chemical_shifts
- shift_set_1
heteronucl_NOEs
- heteronuclear_NOE
heteronucl_T1_relaxation
- T1_relaxation
heteronucl_T2_relaxation
- 15N_T2

Data type	Count
15N chemical shifts	23
1H chemical shifts	91
T1 relaxation values	23
T2 relaxation values	23

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	sgci	1

Entities:

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

1

GLU

VAL

THR

CYS

GLU

PRO

GLY

THR

PHE

2

LYS

ASP

LYS

CYS

ASN

THR

CYS

ARG

CYS

GLY

3

SER

ASP

GLY

LYS

SER

ALA

CYS

THR

LEU

4

LYS

ALA

CYS

PRO

GLN

Samples:

sample_1: Schistocerca gregaria chymotrypsin inhibitor, [U-15N], 1.5 mM

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

Experiments:

Name	Sample	Sample state	Sample conditions
1H-15N HSQC	not available	not available	not available
3D TOCSY-HSQC	not available	not available	not available
3D NOESY-HSQC	not available	not available	not available
15N T1	not available	not available	not available
15N T2	not available	not available	not available
1H,15N NOE	not available	not available	not available

Software:

XEASY v1.3.6, ETH Zurich - peak assignment

NMR spectrometers:

Bruker DRX 500 MHz

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