BMRB Entry 6531

Title:
Solution structure of Calcium-S100A13 (minimized mean structure)
Deposition date:
2005-03-03
Original release date:
2006-02-22
Authors:
Arnesano, F.; Banci, L.; Bertini, I.; Fantoni, A.; Tenori, L.; Viezzoli, M.
Citation:

Citation: Arnesano, F.; Banci, L.; Bertini, I.; Fantoni, A.; Tenori, L.; Viezzoli, M.. "Structural interplay between calcium(II) and copper(II) binding to S100A13 protein."  Angew. Chem. Int. Ed. Engl. 44, 6341-6344 (2005).
PubMed: 16145699

Assembly members:

Assembly members:
S100 calcium-binding protein A13, polymer, 98 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):

Data sets:
Data typeCount
1H chemical shifts636
13C chemical shifts406
15N chemical shifts95

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1S100 calcium-binding protein A13 chain A1
2S100 calcium-binding protein A13 chain B1
3CALCIUM (II) ION 12
4CALCIUM (II) ION 22
5CALCIUM (II) ION 32
6CALCIUM (II) ION 42

Entities:

Entity 1, S100 calcium-binding protein A13 chain A 98 residues - Formula weight is not available

1   METALAALAGLUPROLEUTHRGLULEUGLU
2   GLUSERILEGLUTHRVALVALTHRTHRPHE
3   PHETHRPHEALAARGGLNGLUGLYARGLYS
4   ASPSERLEUSERVALASNGLUPHELYSGLU
5   LEUVALTHRGLNGLNLEUPROHISLEULEU
6   LYSASPVALGLYSERLEUASPGLULYSMET
7   LYSSERLEUASPVALASNGLNASPSERGLU
8   LEULYSPHEASNGLUTYRTRPARGLEUILE
9   GLYGLULEUALALYSGLUILEARGLYSLYS
10   LYSASPLEULYSILEARGLYSLYS

Entity 2, CALCIUM (II) ION 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: S100 calcium-binding protein A13, [U-13C; U-15N], 1.5 mM; sodium acetate buffer 20 mM; D2O 10%

sample_cond_1: pH: 5.6; temperature: 298 K; ionic strength: 20 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
3D 15N-separated NOESYsample_1not availablesample_cond_1
3D 13C-separated NOESYsample_1not availablesample_cond_1
HNHAsample_1not availablesample_cond_1

Software:

DYANA v1.5 - structure solution

AMBER v6 - refinement

NMR spectrometers:

  • Bruker AVANCE 800 MHz

Related Database Links:

SWISS-PROT Q99584
REF NP_005970 NP_001019384 NP_001019383 NP_001019382 NP_001019381
GenBank AAP36320 AAP35370 AAH70291 AAH68064 AAH00632
EMBL CAI14760 CAG46946 CAA68188
PDB
BMRB 6532

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