BMRB Entry 25789

Name: NMR structure of CmPI-II, a serin protease inhibitor isolated from mollusk Cenchitis muricatus
Published: 2016-07-01

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PDB ID: 2n71
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25789
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR structure of CmPI-II, a serin protease inhibitor isolated from mollusk Cenchitis muricatus

Deposition date:

2015-09-01

Original release date:

2016-07-01

Authors:

Cabrera-Munoz, Aymara; Rojas, Laritza; Alonso del Rivero Antigua, Maday; Pires, Jose Ricardo

Citation:

Citation: Cabrera-Munoz, Aymara; Rojas, Laritza; Alonso del Rivero Antigua, Maday; Pires, Jose Ricardo. "(1)H, (13)C and (15)N resonance assignments and secondary structure analysis of CmPI-II, a serine protease inhibitor isolated from marine snail Cenchritis muricatus" Biomol. NMR Assign. 10, 153-156 (2016).
PubMed: 26547437

Assembly members:

Assembly members:
CmPI-II, polymer, 50 residues, 5490.062 Da.

Natural source:

Natural source: Common Name: gastropods Taxonomy ID: 197001 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Cenchritis muricatus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Pichia pastoris Vector: pCM101

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CmPI-II: AEDCVGRKACTREWYPVCGS DGVTYSNPCNFSAQQEQCDP NITIAHMGEC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	170
15N chemical shifts	55
1H chemical shifts	270

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 50 residues - 5490.062 Da.

1	ALA	GLU	ASP	CYS	VAL	GLY	ARG	LYS	ALA	CYS
2	THR	ARG	GLU	TRP	TYR	PRO	VAL	CYS	GLY	SER
3	ASP	GLY	VAL	THR	TYR	SER	ASN	PRO	CYS	ASN
4	PHE	SER	ALA	GLN	GLN	GLU	GLN	CYS	ASP	PRO
5	ASN	ILE	THR	ILE	ALA	HIS	MET	GLY	GLU	CYS

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	CmPI-II_sample	isotropic	sample_conditions_1
2D 1H-1H NOESY	CmPI-II_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC	CmPI-II_15N	isotropic	sample_conditions_1
2D 1H-15N HSQC	CmPI-II_15N-13C	isotropic	sample_conditions_1
2D 1H-13C HSQC	CmPI-II_15N-13C	isotropic	sample_conditions_1
3D CBCA(CO)NH	CmPI-II_15N-13C	isotropic	sample_conditions_1
3D 1H-15N NOESY	CmPI-II_15N	isotropic	sample_conditions_1
3D 1H-15N TOCSY	CmPI-II_15N	isotropic	sample_conditions_1
3D HNCO	CmPI-II_15N-13C	isotropic	sample_conditions_1
3D HNCACB	CmPI-II_15N-13C	isotropic	sample_conditions_1
3D HBHA(CO)NH	CmPI-II_15N-13C	isotropic	sample_conditions_1
3D HCCH-TOCSY	CmPI-II_15N-13C	isotropic	sample_conditions_1

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

BMRB Entry 25789

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	ALA	GLU	ASP	CYS	VAL	GLY	ARG	LYS	ALA	CYS
2	THR	ARG	GLU	TRP	TYR	PRO	VAL	CYS	GLY	SER
3	ASP	GLY	VAL	THR	TYR	SER	ASN	PRO	CYS	ASN
4	PHE	SER	ALA	GLN	GLN	GLU	GLN	CYS	ASP	PRO
5	ASN	ILE	THR	ILE	ALA	HIS	MET	GLY	GLU	CYS

1	ALA	GLU	ASP	CYS	VAL	GLY	ARG	LYS	ALA	CYS
2	THR	ARG	GLU	TRP	TYR	PRO	VAL	CYS	GLY	SER
3	ASP	GLY	VAL	THR	TYR	SER	ASN	PRO	CYS	ASN
4	PHE	SER	ALA	GLN	GLN	GLU	GLN	CYS	ASP	PRO
5	ASN	ILE	THR	ILE	ALA	HIS	MET	GLY	GLU	CYS

1	ALA	GLU	ASP	CYS	VAL	GLY	ARG	LYS	ALA	CYS
2	THR	ARG	GLU	TRP	TYR	PRO	VAL	CYS	GLY	SER
3	ASP	GLY	VAL	THR	TYR	SER	ASN	PRO	CYS	ASN
4	PHE	SER	ALA	GLN	GLN	GLU	GLN	CYS	ASP	PRO
5	ASN	ILE	THR	ILE	ALA	HIS	MET	GLY	GLU	CYS