Calcium in PDB 2wos: Structure of Human S100A7 in Complex with 2,6 Ans

The structure of Structure of Human S100A7 in Complex with 2,6 Ans, PDB code: 2wos was solved by R.Leon, J.I.Murray, G.Cragg, B.Farnell, T.C.Pace, C.Bohne, M.J.Boulanger, F.Hof, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.21 / 1.70
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	51.610, 51.610, 116.910, 90.00, 90.00, 90.00
R / Rfree (%)	18.07 / 21.023

The structure of Structure of Human S100A7 in Complex with 2,6 Ans also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Structure of Human S100A7 in Complex with 2,6 Ans (pdb code 2wos). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Structure of Human S100A7 in Complex with 2,6 Ans, PDB code: 2wos:

Calcium binding site 1 out of 1 in the Structure of Human S100A7 in Complex with 2,6 Ans


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Human S100A7 in Complex with 2,6 Ans within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1097 b:12.4 occ:1.00 OD1 A:ASP62 2.3 10.8 1.0 O A:LYS68 2.3 14.1 1.0 OE1 A:GLU73 2.4 9.8 1.0 OD1 A:ASP66 2.4 13.3 1.0 OD1 A:ASN64 2.4 13.2 1.0 O A:HOH2071 2.4 14.8 1.0 OE2 A:GLU73 2.6 12.8 1.0 CD A:GLU73 2.9 13.1 1.0 CG A:ASP66 3.3 15.2 1.0 CG A:ASP62 3.4 10.8 1.0 CG A:ASN64 3.4 17.2 1.0 C A:LYS68 3.5 13.6 1.0 OD2 A:ASP66 3.7 15.5 1.0 ND2 A:ASN64 4.0 20.8 1.0 CA A:ASP62 4.1 10.7 1.0 N A:LYS68 4.2 13.4 1.0 N A:ASP66 4.2 11.7 1.0 CB A:ASP62 4.3 10.2 1.0 N A:ASN64 4.3 13.6 1.0 OD2 A:ASP62 4.4 14.7 1.0 C A:ASP62 4.4 12.1 1.0 CA A:LYS68 4.4 12.6 1.0 N A:ILE69 4.4 11.6 1.0 CA A:ILE69 4.4 8.9 1.0 CG A:GLU73 4.5 10.3 1.0 CB A:ASP66 4.5 15.0 1.0 N A:LYS63 4.5 11.0 1.0 N A:ASP70 4.6 9.4 1.0 OD2 A:ASP70 4.6 14.3 1.0 N A:GLU65 4.6 14.5 1.0 CB A:ASN64 4.7 15.1 1.0 CB A:LYS68 4.7 14.7 1.0 CA A:ASP66 4.7 15.1 1.0 CA A:ASN64 4.8 14.2 1.0 O A:HOH2083 4.8 16.7 1.0 CG A:ASP70 4.8 13.4 1.0 N A:LYS67 4.9 13.7 1.0 C A:ASN64 4.9 14.6 1.0 C A:ASP66 5.0 14.5 1.0 C A:ILE69 5.0 10.0 1.0 O A:ASP62 5.0 11.8 1.0

R.Leon, J.I.Murray, G.Cragg, B.Farnell, N.R.West, T.C.Pace, P.H.Watson, C.Bohne, M.J.Boulanger, F.Hof. Identification and Characterization of Binding Sites on S100A7, A Participant in Cancer and Inflammation Pathways. Biochemistry V. 48 10591 2009.
ISSN: ISSN 0006-2960
PubMed: 19810752
DOI: 10.1021/BI901330G