BMRB Entry 16955

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16955
MolProbity Validation Chart

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Title:
solution structure of calcium-bound CPV3
Deposition date:
2010-05-25
Original release date:
2011-05-05
Authors:
Henzl, Michael; Tanner, John; Tan, Anmin
Citation:

Citation: Henzl, Michael; Tanner, John; Tan, Anmin. "Solution structures of chicken parvalbumin 3 in the Ca(2+)-free and Ca(2+)-bound states."  Proteins 79, 752-764 (2011).
PubMed: 21287610

Assembly members:

Assembly members:
ca_bound_CPV3, polymer, 108 residues, 11972.382 Da.
CA, non-polymer, 40.078 Da.

Natural source:

Natural source:   Common Name: chicken   Taxonomy ID: 9031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gallus gallus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ca_bound_CPV3: SLTDILSPSDIAAALRDCQA PDSFSPKKFFQISGMSKKSS SQLKEIFRILDNDQSGFIEE DELKYFLQRFESGARVLTAS ETKTFLAAADHDGDGKIGAE EFQEMVQS

Data sets:
Data typeCount
13C chemical shifts429
15N chemical shifts119
1H chemical shifts746

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1calcium-bound CPV31
2calcium ion2

Entities:

Entity 1, calcium-bound CPV3 108 residues - 11972.382 Da.

1   SERLEUTHRASPILELEUSERPROSERASP
2   ILEALAALAALALEUARGASPCYSGLNALA
3   PROASPSERPHESERPROLYSLYSPHEPHE
4   GLNILESERGLYMETSERLYSLYSSERSER
5   SERGLNLEULYSGLUILEPHEARGILELEU
6   ASPASNASPGLNSERGLYPHEILEGLUGLU
7   ASPGLULEULYSTYRPHELEUGLNARGPHE
8   GLUSERGLYALAARGVALLEUTHRALASER
9   GLUTHRLYSTHRPHELEUALAALAALAASP
10   HISASPGLYASPGLYLYSILEGLYALAGLU
11   GLUPHEGLNGLUMETVALGLNSER

Entity 2, calcium ion - Ca - 40.078 Da.

1   CA

Samples:

sample_1: ca-bound CPV3 3.0 ± 0.25 mM; sodium chloride 150 ± 3.0 mM; MES 10 ± 0.2 mM; calcium chloride (free) 0.1 ± 0.002 mM; D2O 10 ± 1 %; sodium azide 0.1 ± 0.01 %; H2O 90 ± 1 %

sample_conditions_1: ionic strength: 0.165 M; pH: 6.0; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
2D HBCBCGCDHDsample_1isotropicsample_conditions_1
2D HBCBCGCDCEHEsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Varian Inova 600 MHz

Related Database Links:

BMRB 16945
PDB
GB AAA17518 EOB00975 KFO11064 KFO59073 KFO79938
REF NP_989753 XP_002197013 XP_003210592 XP_005020103 XP_005145344
SP P43305
AlphaFold P43305

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SPARKY: Backbone or all simulated peaks