Calcium in PDB 8ssk: Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains

The structure of Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains, PDB code: 8ssk was solved by B.J.Cuthbert, C.W.Goulding, C.S.Hayes, D.Q.Nhan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.26 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.87, 113.982, 87.351, 90, 92.39, 90
R / Rfree (%)	16.2 / 18.6

The binding sites of Calcium atom in the Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains (pdb code 8ssk). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains, PDB code: 8ssk:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca407 b:20.8 occ:1.00 HB3 A:ALA183 2.8 14.2 1.0 O A:HOH512 2.9 32.5 1.0 HA A:HIS258 2.9 16.8 1.0 H A:TRP259 3.0 14.8 1.0 HD1 A:TRP259 3.0 16.8 1.0 O A:HOH657 3.0 26.5 1.0 O A:HOH649 3.1 13.5 1.0 HB2 A:HIS258 3.1 14.4 1.0 O A:HOH583 3.1 13.7 1.0 HE1 A:MET248 3.3 17.1 1.0 HD22 A:LEU208 3.5 21.0 1.0 CA A:HIS258 3.7 14.1 1.0 CB A:HIS258 3.7 12.1 1.0 CD1 A:TRP259 3.7 14.1 1.0 N A:TRP259 3.7 12.4 1.0 CB A:ALA183 3.8 11.9 1.0 HB3 A:HIS258 3.8 14.4 1.0 HD23 A:LEU208 3.8 21.0 1.0 HB2 A:ALA183 4.0 14.2 1.0 H A:ALA183 4.0 15.4 1.0 CD2 A:LEU208 4.0 17.6 1.0 H A:GLY184 4.1 13.8 1.0 CE A:MET248 4.1 14.3 1.0 HB1 A:ALA183 4.2 14.2 1.0 C A:HIS258 4.2 14.7 1.0 HB2 A:TRP259 4.3 12.5 1.0 HE2 A:MET248 4.3 17.1 1.0 HD21 A:LEU208 4.4 21.0 1.0 HA A:LEU208 4.4 25.7 1.0 O A:GLY257 4.4 15.0 1.0 NE1 A:TRP259 4.5 15.4 1.0 H A:LYS209 4.5 23.4 1.0 CG A:TRP259 4.5 11.3 1.0 HE1 A:TRP259 4.5 18.4 1.0 O A:THR181 4.6 14.5 1.0 N A:GLY184 4.6 11.6 1.0 N A:ALA183 4.6 12.9 1.0 CA A:ALA183 4.7 10.9 1.0 CB A:TRP259 4.7 10.5 1.0 SD A:MET248 4.8 20.4 1.0 CA A:TRP259 4.8 13.6 1.0 N A:HIS258 4.8 14.4 1.0 HE3 A:MET248 4.8 17.1 1.0 HA A:THR181 4.9 16.8 1.0

Calcium binding site 2 out of 4 in the Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca506 b:21.3 occ:1.00 HA B:HIS258 2.8 19.0 1.0 HD1 B:TRP259 2.8 15.9 1.0 HB3 B:ALA183 2.9 17.2 1.0 H B:TRP259 2.9 17.9 1.0 O B:HOH645 3.0 36.2 1.0 HB2 B:HIS258 3.1 15.8 1.0 HE1 B:MET248 3.1 17.4 1.0 O B:HOH729 3.1 24.3 1.0 O B:HOH719 3.2 16.1 1.0 O B:HOH714 3.2 15.7 1.0 CA B:HIS258 3.5 15.9 1.0 HD22 B:LEU208 3.6 27.7 1.0 CD1 B:TRP259 3.6 13.3 1.0 CB B:HIS258 3.6 13.2 1.0 N B:TRP259 3.6 15.0 1.0 HB3 B:HIS258 3.7 15.8 1.0 CB B:ALA183 3.8 14.4 1.0 HD23 B:LEU208 3.9 27.7 1.0 H B:ALA183 4.0 13.9 1.0 HB2 B:ALA183 4.0 17.2 1.0 H B:GLY184 4.0 15.5 1.0 CE B:MET248 4.0 14.6 1.0 C B:HIS258 4.1 17.1 1.0 CD2 B:LEU208 4.1 23.1 1.0 HB2 B:TRP259 4.2 15.3 1.0 HB1 B:ALA183 4.3 17.2 1.0 HE2 B:MET248 4.4 17.4 1.0 O B:GLY257 4.4 15.4 1.0 NE1 B:TRP259 4.4 17.7 1.0 CG B:TRP259 4.4 16.9 1.0 HA B:LEU208 4.4 23.6 1.0 HE1 B:TRP259 4.4 21.1 1.0 HD21 B:LEU208 4.5 27.7 1.0 H B:LYS209 4.5 18.6 1.0 N B:GLY184 4.6 13.0 1.0 N B:ALA183 4.6 11.7 1.0 HE3 B:MET248 4.6 17.4 1.0 O B:THR181 4.6 14.7 1.0 CB B:TRP259 4.6 12.8 1.0 O B:HOH880 4.7 39.9 1.0 CA B:ALA183 4.7 13.4 1.0 N B:HIS258 4.7 14.7 1.0 CA B:TRP259 4.7 14.1 1.0 SD B:MET248 4.8 25.1 1.0 C B:GLY257 5.0 16.6 1.0

Calcium binding site 3 out of 4 in the Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca412 b:22.1 occ:1.00 O C:HOH559 2.7 35.8 1.0 HB3 C:ALA183 2.8 17.8 1.0 HA C:HIS258 2.9 21.4 1.0 HD1 C:TRP259 2.9 17.2 1.0 H C:TRP259 2.9 18.4 1.0 HB2 C:HIS258 3.0 18.3 1.0 O C:HOH675 3.2 30.7 1.0 O C:HOH652 3.2 18.7 1.0 O C:HOH612 3.2 18.0 1.0 HE1 C:MET248 3.3 24.8 1.0 CB C:HIS258 3.6 15.3 1.0 CA C:HIS258 3.6 17.9 1.0 CD1 C:TRP259 3.6 14.4 1.0 HD22 C:LEU208 3.6 34.9 1.0 N C:TRP259 3.7 15.4 1.0 HB3 C:HIS258 3.7 18.3 1.0 CB C:ALA183 3.7 14.9 1.0 HD23 C:LEU208 3.8 34.9 1.0 HB2 C:ALA183 3.9 17.8 1.0 H C:GLY184 4.0 16.0 1.0 H C:ALA183 4.0 18.2 1.0 CD2 C:LEU208 4.1 29.1 1.0 CE C:MET248 4.2 20.7 1.0 C C:HIS258 4.2 14.8 1.0 HB1 C:ALA183 4.2 17.8 1.0 HB2 C:TRP259 4.2 18.2 1.0 HE2 C:MET248 4.3 24.8 1.0 CG C:TRP259 4.4 14.5 1.0 NE1 C:TRP259 4.4 19.7 1.0 HD21 C:LEU208 4.4 34.9 1.0 O C:GLY257 4.5 15.2 1.0 HE1 C:TRP259 4.5 23.5 1.0 HA C:LEU208 4.6 29.2 1.0 N C:GLY184 4.6 13.4 1.0 N C:ALA183 4.6 15.2 1.0 H C:LYS209 4.6 28.7 1.0 CB C:TRP259 4.7 15.3 1.0 CA C:ALA183 4.7 14.5 1.0 O C:THR181 4.7 22.5 1.0 O C:HOH792 4.8 36.2 1.0 SD C:MET248 4.8 19.4 1.0 CA C:TRP259 4.8 14.3 1.0 N C:HIS258 4.8 16.1 1.0 HE3 C:MET248 4.9 24.8 1.0 HA C:THR181 4.9 25.4 1.0 CG C:HIS258 5.0 16.6 1.0

Calcium binding site 4 out of 4 in the Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1508 b:21.9 occ:1.00 HB3 D:ALA183 2.7 20.3 1.0 O D:HOH1634 2.8 27.8 1.0 HE1 D:MET248 2.8 21.6 1.0 HA D:HIS258 2.9 19.6 1.0 HD1 D:TRP259 2.9 20.8 1.0 H D:TRP259 2.9 19.5 1.0 HB2 D:HIS258 3.0 15.5 1.0 O D:HOH1777 3.1 16.5 1.0 O D:HOH1725 3.1 15.3 1.0 O D:HOH1767 3.2 30.5 1.0 HD22 D:LEU208 3.5 27.7 1.0 CA D:HIS258 3.6 16.4 1.0 CB D:HIS258 3.6 13.0 1.0 CD1 D:TRP259 3.6 17.4 1.0 N D:TRP259 3.7 16.3 1.0 CB D:ALA183 3.7 17.0 1.0 HB3 D:HIS258 3.7 15.5 1.0 HD23 D:LEU208 3.7 27.7 1.0 CE D:MET248 3.8 18.1 1.0 HB2 D:ALA183 3.9 20.3 1.0 CD2 D:LEU208 4.0 23.1 1.0 H D:GLY184 4.0 20.9 1.0 H D:ALA183 4.0 21.4 1.0 HE3 D:MET248 4.1 21.6 1.0 HB1 D:ALA183 4.1 20.3 1.0 C D:HIS258 4.2 16.9 1.0 HB2 D:TRP259 4.2 17.8 1.0 HE2 D:MET248 4.3 21.6 1.0 HD21 D:LEU208 4.3 27.7 1.0 NE1 D:TRP259 4.4 19.5 1.0 CG D:TRP259 4.4 14.5 1.0 HE1 D:TRP259 4.5 23.3 1.0 H D:LYS209 4.5 28.8 1.0 O D:GLY257 4.5 16.8 1.0 HA D:LEU208 4.5 26.9 1.0 N D:GLY184 4.6 17.5 1.0 N D:ALA183 4.6 17.9 1.0 CA D:ALA183 4.6 16.7 1.0 CB D:TRP259 4.7 14.9 1.0 O D:THR181 4.7 21.3 1.0 CA D:TRP259 4.8 14.9 1.0 SD D:MET248 4.8 22.0 1.0 N D:HIS258 4.8 15.1 1.0 HA D:THR181 4.9 26.5 1.0

B.J.Cuthbert, C.W.Goulding, C.S.Hayes, D.Q.Nhan. Citrobacter Rodentium Contact Dependent Growth Inhibition (Cdi) Entry and Toxin (Cdia-Ct) Domains To Be Published.