BMRB Entry 6049

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR6049
MolProbity Validation Chart

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

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).
PubMed: 15122922

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
1H chemical shifts601
13C chemical shifts290
15N chemical shifts110

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Parvalbumin alpha1
2CALCIUM ION2

Entities:

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

1   METSERMETTHRASPLEULEUASNALAGLU
2   ASPILELYSLYSALAVALGLYALAPHESER
3   ALATHRASPSERPHEASPHISLYSLYSPHE
4   PHEGLNMETVALGLYLEULYSLYSLYSSER
5   ALAASPASPVALLYSLYSVALPHEHISMET
6   LEUASPLYSASPLYSSERGLYPHEILEGLU
7   GLUASPGLULEUGLYPHEILELEULYSGLY
8   PHESERPROASPALAARGASPLEUSERALA
9   LYSGLUTHRLYSMETLEUMETALAALAGLY
10   ASPLYSASPGLYASPGLYLYSILEGLYVAL
11   ASPGLUPHESERTHRLEUVALALAGLUSER

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:

NameSampleSample stateSample conditions
3D 15N-separated NOESYnot availablenot availablesample_cond_1
3D 13C-separated NOESYnot availablenot availablesample_cond_1
2D NOESYnot availablenot availablesample_cond_1
2D TOCSYnot availablenot availablesample_cond_1
HNHAnot availablenot availablesample_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

Related Database Links:

PDB
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
AlphaFold P20472 P80050

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