BMRB Entry 5272

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PDB ID: 1kgm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5272
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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

Deposition date:

2002-02-05

Original release date:

2011-08-10

Authors:

Gaspari, Zoltan; Patthy, Andras; Graf, Laszlo; Patthy, Andras; Szenthe, Borbala; Nagy, Attila

Citation:

Citation: Gaspari, Zoltan; Patthy, Andras; Graf, Laszlo; Patthy, Andras. "Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria " Eur. J. Biochem. 269, 527-537 (2002).
PubMed: 11856311

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_T1_relaxation
- T1_relaxation
heteronucl_T2_relaxation
- 15N_T2
heteronucl_NOEs
- heteronuclear_NOE

Data type	Count
1H chemical shifts	198
15N chemical shifts	31
T1 relaxation values	30
T2 relaxation values	30

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 2.5 mM

sample_2: Schistocerca gregaria chymotrypsin inhibitor, [U-15N], 1.5 mM

ex-cond_1: pH: 3.0; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D COSY	not available	not available	not available
2D TOCSY	not available	not available	not available
2D NOESY	not available	not available	not available
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:

TRIAD (SYBYL) v6.6, Tripos, Inc. - peak assignment

XEASY v1.3.6, ETH Zurich - peak assignment

NMR spectrometers:

Bruker DRX 500 MHz

SWISS-PROT	O46162
EMBL	CAA70818
PDB	1KGM
BMRB	6881 6880