BMRB Entry 15624

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15624
MolProbity Validation Chart

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Title:
Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin
Deposition date:
2008-01-10
Original release date:
2009-10-15
Authors:
Chyan, Chia-Lin; Irene, Deli
Citation:

Citation: Chyan, Chia-Lin; Irene, Deli. "Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin"  .

Assembly members:

Assembly members:
Calmodulin, polymer, 148 residues, Formula weight is not available
Calmodulin_binding_domain_of_Calcineurin, polymer, 24 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   Host organism: Escherichia coli   Vector: pET29c

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Calmodulin: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK
Calmodulin_binding_domain_of_Calcineurin: ARKEVIRNKIRAIGKMARVF SVLR

Data sets:
Data typeCount
13C chemical shifts696
15N chemical shifts179
1H chemical shifts1151

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22
3CALCIUM ION3

Entities:

Entity 1, entity_1 148 residues - Formula weight is not available

1   ALAASPGLNLEUTHRGLUGLUGLNILEALA
2   GLUPHELYSGLUALAPHESERLEUPHEASP
3   LYSASPGLYASPGLYTHRILETHRTHRLYS
4   GLULEUGLYTHRVALMETARGSERLEUGLY
5   GLNASNPROTHRGLUALAGLULEUGLNASP
6   METILEASNGLUVALASPALAASPGLYASN
7   GLYTHRILEASPPHEPROGLUPHELEUTHR
8   METMETALAARGLYSMETLYSASPTHRASP
9   SERGLUGLUGLUILEARGGLUALAPHEARG
10   VALPHEASPLYSASPGLYASNGLYTYRILE
11   SERALAALAGLULEUARGHISVALMETTHR
12   ASNLEUGLYGLULYSLEUTHRASPGLUGLU
13   VALASPGLUMETILEARGGLUALAASPILE
14   ASPGLYASPGLYGLNVALASNTYRGLUGLU
15   PHEVALGLNMETMETTHRALALYS

Entity 2, entity_2 24 residues - Formula weight is not available

1   ALAARGLYSGLUVALILEARGASNLYSILE
2   ARGALAILEGLYLYSMETALAARGVALPHE
3   SERVALLEUARG

Entity 3, CALCIUM ION - Ca - 40.078 Da.

1   CA

Samples:

CaMCaNp: Calmodulin, [U-99% 13C; U-99% 15N], 1 ± 0.05 mM; Calmodulin binding domain of Calcineurin, [U-99% 13C; U-99% 15N], 1 ± 0.05 mM; CALCIUM ION 1 ± 0.05 mM

sample_conditions_1: pH: 6.5; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCCaMCaNpisotropicsample_conditions_1
2D 1H-13C HSQCCaMCaNpisotropicsample_conditions_1
3D HNCACaMCaNpisotropicsample_conditions_1
3D HN(CO)CACaMCaNpisotropicsample_conditions_1
3D CBCA(CO)NHCaMCaNpisotropicsample_conditions_1
3D CBCANHCaMCaNpisotropicsample_conditions_1
3D C(CO)NHCaMCaNpisotropicsample_conditions_1
3D HBHA(CO)NHCaMCaNpisotropicsample_conditions_1
3D HNCOCaMCaNpisotropicsample_conditions_1
3D HCCH TOCSYCaMCaNpisotropicsample_conditions_1
3D 1H-15N NOESYCaMCaNpisotropicsample_conditions_1
3D 1H-13C NOESYCaMCaNpisotropicsample_conditions_1
2D DQF-COSYCaMCaNpisotropicsample_conditions_1
2D 1H-1H TOCSYCaMCaNpisotropicsample_conditions_1
2D 1H-1H NOESYCaMCaNpisotropicsample_conditions_1
3D H(CCO)NHCaMCaNpisotropicsample_conditions_1

Software:

CYANA v2.1, Herrmann, Guntert and Wuthrich - automated NOEs assignment, structure calculation

AURELIA v3.6, Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer - peak picking, processing

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PIR P0DP23
EMBL L14778

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