Calcium in PDB 1qls: S100C (S100A11),or Calgizzarin, in Complex with Annexin I N-Terminus

The structure of S100C (S100A11),or Calgizzarin, in Complex with Annexin I N-Terminus, PDB code: 1qls was solved by S.Rety, J.Sopkova, M.Renouard, D.Osterloh, V.Gerke, F.Russo-Marie, A.Lewit-Bentley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.510, 77.510, 111.610, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 26.8

The binding sites of Calcium atom in the S100C (S100A11),or Calgizzarin, in Complex with Annexin I N-Terminus (pdb code 1qls). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the S100C (S100A11),or Calgizzarin, in Complex with Annexin I N-Terminus, PDB code: 1qls:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the S100C (S100A11),or Calgizzarin, in Complex with Annexin I N-Terminus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of S100C (S100A11),or Calgizzarin, in Complex with Annexin I N-Terminus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca101 b:26.7 occ:1.00 O A:ALA23 2.5 23.9 1.0 O A:HOH2017 2.5 27.3 1.0 OD1 A:ASP26 2.5 26.5 1.0 O A:LYS31 2.6 20.5 1.0 OE1 A:GLU36 2.6 20.7 1.0 O A:ASN28 2.7 24.6 1.0 OE2 A:GLU36 2.8 22.6 1.0 CD A:GLU36 3.1 24.5 1.0 CG A:ASP26 3.3 27.7 1.0 OD2 A:ASP26 3.4 28.3 1.0 C A:ALA23 3.5 26.6 1.0 C A:ASN28 3.7 29.1 1.0 C A:LYS31 3.8 24.9 1.0 CA A:ALA23 3.9 25.9 1.0 N A:SER33 4.3 17.6 1.0 CB A:ALA23 4.3 29.2 1.0 CB A:ASN28 4.3 25.8 1.0 CA A:ASN28 4.3 28.8 1.0 N A:ASN28 4.3 27.7 1.0 N A:ASP26 4.4 28.3 1.0 N A:LYS31 4.4 22.8 1.0 CA A:ILE32 4.4 19.8 1.0 CA A:ASN29 4.6 22.7 1.0 N A:ASN29 4.6 30.8 1.0 CA A:LYS31 4.6 24.6 1.0 CB A:ASP26 4.6 22.0 1.0 N A:GLY24 4.6 30.5 1.0 N A:ILE32 4.6 24.4 1.0 CG A:GLU36 4.6 23.8 1.0 OE1 A:GLN72 4.7 29.9 1.0 C A:ILE32 4.8 19.9 1.0 N A:ARG25 4.9 34.0 1.0 CA A:ASP26 4.9 27.8 1.0 CB A:LYS31 4.9 21.9 1.0 O A:HIS22 4.9 28.1 1.0 CG A:ASN28 5.0 23.2 1.0 CA A:GLY24 5.0 29.5 1.0 C A:ASP26 5.0 31.9 1.0

Calcium binding site 2 out of 2 in the S100C (S100A11),or Calgizzarin, in Complex with Annexin I N-Terminus


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of S100C (S100A11),or Calgizzarin, in Complex with Annexin I N-Terminus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:35.1 occ:1.00 OD1 A:ASP66 2.6 35.7 1.0 OD1 A:ASP68 2.6 40.6 1.0 O A:GLN72 2.6 24.1 1.0 OD1 A:ASP70 2.6 38.2 1.0 O A:HOH2013 2.7 38.7 1.0 OE1 A:GLU77 2.7 26.8 1.0 OE2 A:GLU77 2.8 33.0 1.0 CD A:GLU77 3.1 28.9 1.0 CG A:ASP70 3.5 41.5 1.0 CG A:ASP68 3.6 40.8 1.0 CG A:ASP66 3.6 36.2 1.0 C A:GLN72 3.8 25.7 1.0 OD2 A:ASP68 3.9 43.1 1.0 OD2 A:ASP70 3.9 42.2 1.0 N A:GLN72 4.1 27.6 1.0 CA A:ASP66 4.2 36.2 1.0 OD2 A:ASP66 4.2 38.8 1.0 N A:ASP68 4.2 40.8 1.0 N A:ASP70 4.3 42.4 1.0 CB A:ASP66 4.3 34.6 1.0 CA A:LEU73 4.3 22.6 1.0 C A:ASP66 4.4 37.7 1.0 N A:ASP74 4.4 20.6 1.0 N A:LEU73 4.5 23.6 1.0 CA A:GLN72 4.5 26.7 1.0 N A:SER69 4.5 43.0 1.0 CB A:ASP70 4.6 38.9 1.0 CG A:GLU77 4.6 21.2 1.0 N A:LEU67 4.6 37.6 1.0 C A:LEU73 4.8 24.2 1.0 N A:GLY71 4.8 34.1 1.0 CB A:ASP68 4.8 38.5 1.0 CA A:ASP68 4.8 42.2 1.0 C A:ASP68 4.9 42.8 1.0 CA A:ASP70 4.9 37.5 1.0 O A:ASP66 4.9 39.2 1.0

S.Rety, D.Osterloh, J.P.Arie, S.Tabaries, J.Seeman, F.Russo-Marie, V.Gerke, A.Lewit-Bentley. Structural Basis of the CA2+ Dependent Association Between S100C (S100A11) and Its Target, the N-Terminal Part of Annexin I Structure V. 8 175 2000.
ISSN: ISSN 0969-2126
PubMed: 10673436
DOI: 10.1016/S0969-2126(00)00093-9