BMRB Entry 6532

Title:
Solution structure of apo-S100A13
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:
apo-S100A13, polymer, 98 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology

Data sets:
Data typeCount
1H chemical shifts605
13C chemical shifts275
15N chemical shifts90

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1apo-S100A13 chain A1
2apo-S100A13 chain B1

Entities:

Entity 1, apo-S100A13 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

Samples:

sample_1: apo-S100A13, [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 13C-separated NOESYnot availablenot availablenot available
3D 15N-separated NOESYnot availablenot availablenot available
HNHAnot availablenot availablenot available

Software:

DYANA v5.1 - structure solution

AMBER v6 - refinement

NMR spectrometers:

  • Bruker AVANCE 500 MHz

Related Database Links:

BMRB 15952 6531
PDB
DBJ BAG74209
EMBL CAA68188 CAG46946
GB AAH00632 AAH68064 AAH70291 AAP35370 AAP36320
REF NP_001019381 NP_001019382 NP_001019383 NP_001019384 NP_005970
SP Q99584
AlphaFold Q99584 Q99584

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