Calcium in PDB 2wnd: Structure of An S100A7 Triple Mutant

The structure of Structure of An S100A7 Triple Mutant, PDB code: 2wnd was solved by N.R.West, B.Farnell, P.H.Watson, M.J.Boulanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.37 / 1.60
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.930, 68.930, 92.520, 90.00, 90.00, 90.00
R / Rfree (%)	21.583 / 25.003

The structure of Structure of An S100A7 Triple Mutant also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Calcium atom in the Structure of An S100A7 Triple Mutant (pdb code 2wnd). 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 An S100A7 Triple Mutant, PDB code: 2wnd:

Calcium binding site 1 out of 1 in the Structure of An S100A7 Triple Mutant


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of An S100A7 Triple Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca102 b:10.4 occ:1.00 OD1 A:ASP62 2.3 11.1 1.0 O A:LYS68 2.3 12.3 1.0 OD1 A:ASN64 2.4 13.8 1.0 OD1 A:ASP66 2.4 11.2 1.0 O A:HOH2102 2.4 13.7 1.0 OE1 A:GLU73 2.4 10.4 1.0 OE2 A:GLU73 2.6 10.7 1.0 CD A:GLU73 2.9 9.6 1.0 CG A:ASP66 3.3 13.4 1.0 CG A:ASP62 3.4 11.2 1.0 C A:LYS68 3.5 10.8 1.0 CG A:ASN64 3.5 13.1 1.0 OD2 A:ASP66 3.7 14.7 1.0 CA A:ASP62 4.0 9.5 1.0 ND2 A:ASN64 4.1 14.3 1.0 CB A:ASP62 4.2 11.3 1.0 N A:LYS68 4.2 13.5 1.0 N A:ASP66 4.3 12.6 1.0 OD2 A:ASP62 4.3 12.7 1.0 C A:ASP62 4.4 10.2 1.0 CG A:GLU73 4.4 12.0 1.0 N A:ILE69 4.4 10.3 1.0 CA A:LYS68 4.4 11.8 1.0 N A:ASN64 4.4 13.2 1.0 CA A:ILE69 4.4 9.9 1.0 CB A:ASP66 4.5 12.7 1.0 N A:ASP70 4.5 10.1 1.0 N A:LYS63 4.6 11.2 1.0 OD2 A:ASP70 4.6 15.1 1.0 N A:GLU65 4.7 14.4 1.0 CB A:ASN64 4.7 14.5 1.0 CB A:LYS68 4.7 14.0 1.0 CA A:ASP66 4.8 11.8 1.0 O A:HOH2115 4.8 19.6 1.0 CA A:ASN64 4.9 14.8 1.0 CG A:ASP70 4.9 11.6 1.0 C A:ASN64 4.9 14.0 1.0 O A:ASP62 5.0 12.2 1.0 N A:LYS67 5.0 12.6 1.0 C A:ILE69 5.0 9.9 1.0

N.R.West, B.Farnell, J.I.Murray, F.Hof, P.H.Watson, M.J.Boulanger. Structural and Functional Characterization of A Triple Mutant Form of S100A7 Defective For JAB1 Binding. Protein Sci. V. 18 2615 2009.
ISSN: ISSN 0961-8368
PubMed: 19844956
DOI: 10.1002/PRO.274