BMRB Entry 18926

Name: Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia
Published: 2013-10-14

Click here to enlarge.

PDB ID: 2m2q
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18926
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Solution structure of MCh-1: A novel inhibitor cystine knot peptide from Momordica charantia

Deposition date:

2013-01-01

Original release date:

2013-10-14

Authors:

HE, WEN-JUN; CHAN, LAI YUE; CLARK, RICHARD; TANG, JUN; ZENG, GUANG-ZHI; FRANCO, OCTAVIO; CANTACESSI, CINZIA; CRAIK, DAVID; DALY, NORELLE; TAN, NING-HUA

Citation:

Citation: HE, WEN-JUN; CHAN, LAI YUE; CLARK, RICHARD; TANG, JUN; ZENG, GUANG-ZHI; FRANCO, OCTAVIO; CANTACESSI, CINZIA; CRAIK, DAVID; DALY, NORELLE; TAN, NING-HUA. "Novel Inhibitor Cystine Knot Peptides from Momordica charantia" PLoS One 8, e75334-e75334 (2013).
PubMed: 24116036

Assembly members:

Assembly members:
MCh-1, polymer, 32 residues, 3030.585 Da.

Natural source:

Natural source: Common Name: Eudicots Taxonomy ID: 3673 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Momordica charantia

Experimental source:

Experimental source: Production method: purified from the natural source Host organism: Momordica charantia

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MCh-1: GCAGKSCNILGSDPCDAGCF CLPVGIVAGVCV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	178

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MCh-1	1

Entities:

Entity 1, MCh-1 32 residues - 3030.585 Da.

1

GLY

CYS

ALA

GLY

LYS

SER

CYS

ASN

ILE

LEU

2

GLY

SER

ASP

PRO

CYS

ASP

ALA

GLY

CYS

PHE

3

CYS

LEU

PRO

VAL

GLY

ILE

VAL

ALA

GLY

VAL

4

CYS

VAL

Samples:

sample_1: MCh-1 3 ± 0.2 mM; H2O 90%; D2O 10%; acetonitrile 27%

sample_conditions_1: pH: 5; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Bruker ARX 600 MHz