BMRB Entry 6049

Name: Solution Structure of Human alpha-Parvalbumin (Minimized Average Structure)
Published: 2004-07-30

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6049

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

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Title: Solution Structure of Human alpha-Parvalbumin (Minimized Average Structure) PubMed: 15122922

Deposition date: 2003-12-15 Original release date: 2004-07-30

Authors: Baig, I.; Bertini, I.; Del Bianco, C.; Gupta, Y.; Lee, Y.-M.; Luchinat, C.; Quattrone, A.

Citation: Baig, I.; Bertini, I.; Del Bianco, C.; Gupta, Y.; Lee, Y.-M.; Luchinat, C.; Quattrone, A.. "Paramagnetism-based Refinement Strategy for the Solution Structure of Human alpha-Parvalbumin" Biochemistry 43, 5562-5573 (2004).

Assembly members:
Parvalbumin alpha, polymer, 110 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
Parvalbumin alpha: MSMTDLLNAEDIKKAVGAFS ATDSFDHKKFFQMVGLKKKS ADDVKKVFHMLDKDKSGFIE EDELGFILKGFSPDARDLSA KETKMLMAAGDKDGDGKIGV DEFSTLVAES

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	601
13C chemical shifts	290
15N chemical shifts	110

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Parvalbumin alpha	1
2	CALCIUM ION	2

Entities:

Entity 1, Parvalbumin alpha 110 residues - Formula weight is not available

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

Entity 2, CALCIUM ION - Ca - 40.078 Da.

1

CA

Samples:

sample_1: Parvalbumin alpha, [U-15N; U-13C], 1.5 mM; CALCIUM (II) ION 3 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_2: Parvalbumin alpha, [U-15N], 0.6 mM; CALCIUM (II) ION 3 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_3: Parvalbumin alpha, [U-15N; U-13C], 1.5 mM; CALCIUM (II) ION 3 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 7.0; temperature: 298 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
3D 15N-separated NOESY	not available	not available	sample_cond_1
3D 13C-separated NOESY	not available	not available	sample_cond_1
2D NOESY	not available	not available	sample_cond_1
2D TOCSY	not available	not available	sample_cond_1
HNHA	not available	not available	sample_cond_1

Software:

XWINNMR v3.1 - collection, processing

Xeasy v1.3 - data analysis

DYANA v1.5 - structure solution

AMBER v5.0 - refinement

NMR spectrometers:

Bruker AVANCE 500 MHz

PDB	1RJV 1RK9
DBJ	BAG34774
EMBL	CAA36924 CAA44792 CAA45134 CAG30438 CAK54583
GB	AAH69300 AAH96112 AAH96113 AAH96114 AAH96115
REF	NP_002845 XP_002743782 XP_003264754 XP_003932956 XP_004063462
SP	P20472 P80050

Biological Magnetic Resonance Data Bank