BMRB Entry 25345

Name: Second calciumbinding domain from P. falciparum CDPK3
Published: 2014-12-16

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25345

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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:

Second calciumbinding domain from P. falciparum CDPK3

Deposition date:

2014-11-14

Original release date:

2014-12-16

Authors:

Lundstrom, Patrik

Citation:

Citation: Niklasson, Markus; Ahlner, Alexandra; Andresen, Cecilia; Marsh, Joseph; Lundstrom, Patrik. "Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches" PLOS Comput. Biol. 11, e1004022-e1004022 (2015).
PubMed: 25569628

Assembly members:

Assembly members:
PfCDPK3_CLD(B), polymer, 90 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: E. Coli Taxonomy ID: 469008 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: N.A.

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PfCDPK3_CLD(B): SGVDLGTENLYFQNQLSKKL IYCAFRVFDVDNDGEITTAE LAHILYNGNKKGNITQRDVN RVKRMIRDVDKNNDGKIDFH EFSEMMKLKF

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	245
15N chemical shifts	84
1H chemical shifts	84

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CLD(B)	1
2	Calcium Ion	2

Entities:

Entity 1, CLD(B) 90 residues - Formula weight is not available

1	SER	GLY	VAL	ASP	LEU	GLY	THR	GLU	ASN	LEU
2	TYR	PHE	GLN	ASN	GLN	LEU	SER	LYS	LYS	LEU
3	ILE	TYR	CYS	ALA	PHE	ARG	VAL	PHE	ASP	VAL
4	ASP	ASN	ASP	GLY	GLU	ILE	THR	THR	ALA	GLU
5	LEU	ALA	HIS	ILE	LEU	TYR	ASN	GLY	ASN	LYS
6	LYS	GLY	ASN	ILE	THR	GLN	ARG	ASP	VAL	ASN
7	ARG	VAL	LYS	ARG	MET	ILE	ARG	ASP	VAL	ASP
8	LYS	ASN	ASN	ASP	GLY	LYS	ILE	ASP	PHE	HIS
9	GLU	PHE	SER	GLU	MET	MET	LYS	LEU	LYS	PHE

Entity 2, Calcium Ion - Ca - 40.078 Da.

1

CA

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	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 25345

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

1	SER	GLY	VAL	ASP	LEU	GLY	THR	GLU	ASN	LEU
2	TYR	PHE	GLN	ASN	GLN	LEU	SER	LYS	LYS	LEU
3	ILE	TYR	CYS	ALA	PHE	ARG	VAL	PHE	ASP	VAL
4	ASP	ASN	ASP	GLY	GLU	ILE	THR	THR	ALA	GLU
5	LEU	ALA	HIS	ILE	LEU	TYR	ASN	GLY	ASN	LYS
6	LYS	GLY	ASN	ILE	THR	GLN	ARG	ASP	VAL	ASN
7	ARG	VAL	LYS	ARG	MET	ILE	ARG	ASP	VAL	ASP
8	LYS	ASN	ASN	ASP	GLY	LYS	ILE	ASP	PHE	HIS
9	GLU	PHE	SER	GLU	MET	MET	LYS	LEU	LYS	PHE

1	SER	GLY	VAL	ASP	LEU	GLY	THR	GLU	ASN	LEU
2	TYR	PHE	GLN	ASN	GLN	LEU	SER	LYS	LYS	LEU
3	ILE	TYR	CYS	ALA	PHE	ARG	VAL	PHE	ASP	VAL
4	ASP	ASN	ASP	GLY	GLU	ILE	THR	THR	ALA	GLU
5	LEU	ALA	HIS	ILE	LEU	TYR	ASN	GLY	ASN	LYS
6	LYS	GLY	ASN	ILE	THR	GLN	ARG	ASP	VAL	ASN
7	ARG	VAL	LYS	ARG	MET	ILE	ARG	ASP	VAL	ASP
8	LYS	ASN	ASN	ASP	GLY	LYS	ILE	ASP	PHE	HIS
9	GLU	PHE	SER	GLU	MET	MET	LYS	LEU	LYS	PHE

1	SER	GLY	VAL	ASP	LEU	GLY	THR	GLU	ASN	LEU
2	TYR	PHE	GLN	ASN	GLN	LEU	SER	LYS	LYS	LEU
3	ILE	TYR	CYS	ALA	PHE	ARG	VAL	PHE	ASP	VAL
4	ASP	ASN	ASP	GLY	GLU	ILE	THR	THR	ALA	GLU
5	LEU	ALA	HIS	ILE	LEU	TYR	ASN	GLY	ASN	LYS
6	LYS	GLY	ASN	ILE	THR	GLN	ARG	ASP	VAL	ASN
7	ARG	VAL	LYS	ARG	MET	ILE	ARG	ASP	VAL	ASP
8	LYS	ASN	ASN	ASP	GLY	LYS	ILE	ASP	PHE	HIS
9	GLU	PHE	SER	GLU	MET	MET	LYS	LEU	LYS	PHE