Calcium in PDB 1r17: Crystal Structure Analysis of S.Epidermidis Adhesin Sdrg Binding to Fibrinogen (Adhesin-Ligand Complex)

The structure of Crystal Structure Analysis of S.Epidermidis Adhesin Sdrg Binding to Fibrinogen (Adhesin-Ligand Complex), PDB code: 1r17 was solved by K.Ponnuraj, M.G.Bowden, S.Davis, S.Gurusiddappa, D.Moore, D.Choe, Y.Xu, M.Hook, S.V.L.Narayana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	89.018, 89.483, 98.044, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 22.1

The binding sites of Calcium atom in the Crystal Structure Analysis of S.Epidermidis Adhesin Sdrg Binding to Fibrinogen (Adhesin-Ligand Complex) (pdb code 1r17). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure Analysis of S.Epidermidis Adhesin Sdrg Binding to Fibrinogen (Adhesin-Ligand Complex), PDB code: 1r17:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure Analysis of S.Epidermidis Adhesin Sdrg Binding to Fibrinogen (Adhesin-Ligand Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of S.Epidermidis Adhesin Sdrg Binding to Fibrinogen (Adhesin-Ligand Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca599 b:26.1 occ:1.00 O A:ILE300 2.2 21.5 1.0 OG A:SER297 2.4 24.8 1.0 OE1 A:GLU307 2.4 17.0 1.0 OE1 A:GLU292 2.4 30.0 1.0 O A:HOH673 2.4 28.3 1.0 O A:SER297 2.5 27.6 1.0 OE2 A:GLU307 2.6 17.0 1.0 CD A:GLU307 2.8 14.7 1.0 C A:SER297 3.2 28.1 1.0 CB A:SER297 3.3 27.0 1.0 C A:ILE300 3.4 21.8 1.0 CD A:GLU292 3.5 28.4 1.0 CA A:SER297 3.7 27.4 1.0 CB A:GLU292 4.0 22.6 1.0 N A:ASP298 4.1 28.0 1.0 N A:SER297 4.2 28.0 1.0 N A:ILE300 4.2 21.7 1.0 CG A:GLU292 4.3 24.1 1.0 CA A:ILE300 4.3 21.9 1.0 CG A:GLU307 4.3 14.5 1.0 N A:ILE301 4.3 20.2 1.0 CA A:ILE301 4.4 17.8 1.0 O A:TYR294 4.4 23.6 1.0 OE2 A:GLU292 4.4 27.4 1.0 CA A:ASP298 4.5 28.2 1.0 O A:HOH697 4.6 28.2 1.0 CD1 A:ILE301 4.6 21.1 1.0 CB A:ILE300 4.7 23.8 1.0 O A:HOH720 4.7 31.9 1.0 N A:LYS302 4.8 15.8 1.0 C A:ASP298 4.8 25.7 1.0 CB A:TYR294 4.9 20.9 1.0 CG A:LYS302 4.9 22.3 1.0 N A:GLY299 4.9 23.1 1.0 C A:TYR294 5.0 23.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure Analysis of S.Epidermidis Adhesin Sdrg Binding to Fibrinogen (Adhesin-Ligand Complex)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure Analysis of S.Epidermidis Adhesin Sdrg Binding to Fibrinogen (Adhesin-Ligand Complex) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca599 b:26.2 occ:1.00 O B:ILE300 2.2 22.2 1.0 OE1 B:GLU292 2.3 24.8 1.0 OG B:SER297 2.4 23.7 1.0 O B:SER297 2.4 24.5 1.0 OE1 B:GLU307 2.4 18.4 1.0 O B:HOH637 2.5 28.1 1.0 OE2 B:GLU307 2.6 15.7 1.0 CD B:GLU307 2.9 14.6 1.0 C B:SER297 3.1 25.6 1.0 CB B:SER297 3.4 25.1 1.0 C B:ILE300 3.4 21.6 1.0 CD B:GLU292 3.5 25.0 1.0 CA B:SER297 3.7 25.8 1.0 N B:ASP298 4.0 26.2 1.0 CB B:GLU292 4.1 20.9 1.0 N B:ILE300 4.2 21.6 1.0 N B:SER297 4.2 26.2 1.0 CG B:GLU292 4.2 22.5 1.0 CA B:ILE300 4.3 21.3 1.0 CA B:ASP298 4.3 26.7 1.0 N B:ILE301 4.3 20.4 1.0 OE2 B:GLU292 4.4 25.4 1.0 CG B:GLU307 4.4 14.5 1.0 CA B:ILE301 4.4 18.7 1.0 O B:TYR294 4.4 23.1 1.0 CD1 B:ILE301 4.6 20.1 1.0 CB B:ILE300 4.6 21.6 1.0 O B:HOH725 4.7 28.6 1.0 N B:LYS302 4.7 17.1 1.0 C B:ASP298 4.7 25.3 1.0 N B:GLY299 4.8 23.9 1.0 CG B:LYS302 4.9 24.3 1.0 C B:TYR294 5.0 22.1 1.0

K.Ponnuraj, M.G.Bowden, S.Davis, S.Gurusiddappa, D.Moore, D.Choe, Y.Xu, M.Hook, S.V.L.Narayana. A "Dock, Lock and Latch" Structural Model For A Staphylococcal Adhesin Binding to Fibrinogen Cell(Cambridge,Mass.) V. 115 217 2003.
ISSN: ISSN 0092-8674
PubMed: 14567919
DOI: 10.1016/S0092-8674(03)00809-2