Calcium in PDB 3faw: Crystal Structure of the Group B Streptococcus Pullulanase Sap

The structure of Crystal Structure of the Group B Streptococcus Pullulanase Sap, PDB code: 3faw was solved by L.J.Gourlay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.949, 102.834, 172.438, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.5

The structure of Crystal Structure of the Group B Streptococcus Pullulanase Sap also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Calcium atom in the Crystal Structure of the Group B Streptococcus Pullulanase Sap (pdb code 3faw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of the Group B Streptococcus Pullulanase Sap, PDB code: 3faw:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of the Group B Streptococcus Pullulanase Sap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Group B Streptococcus Pullulanase Sap within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:13.2 occ:1.00 O A:LYS708 2.3 11.8 1.0 O A:LYS510 2.4 10.2 1.0 O A:HOH1261 2.4 13.1 1.0 O A:HOH1289 2.4 11.3 1.0 O A:HOH91 2.5 18.5 1.0 O A:HOH1271 2.5 8.2 1.0 OH A:TYR547 2.6 11.8 1.0 C A:LYS708 3.4 11.0 1.0 C A:LYS510 3.5 10.6 1.0 CZ A:TYR547 3.6 10.8 1.0 CE1 A:TYR547 3.9 13.0 1.0 CA A:LYS708 4.2 11.4 1.0 CB A:LYS708 4.3 12.1 1.0 CA A:LYS510 4.4 10.5 1.0 N A:ASP709 4.4 11.2 1.0 N A:ASP511 4.4 9.8 1.0 CD A:PRO710 4.5 12.6 1.0 O A:HOH1246 4.5 13.1 1.0 CA A:ASP511 4.6 11.7 1.0 OE1 A:GLU571 4.6 12.2 1.0 OD1 A:ASP511 4.6 16.8 1.0 CA A:ASP709 4.6 11.8 1.0 O A:HOH182 4.7 6.7 1.0 CB A:LYS510 4.7 10.3 1.0 O A:GLY545 4.8 7.2 1.0 CE2 A:TYR547 4.8 10.9 1.0 O A:HOH188 5.0 13.7 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of the Group B Streptococcus Pullulanase Sap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of the Group B Streptococcus Pullulanase Sap within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:27.0 occ:1.00 O A:LYS652 2.3 11.3 1.0 O A:HOH1293 2.4 21.7 1.0 O A:HOH1291 2.4 19.7 1.0 O A:HOH1320 2.4 19.9 1.0 O A:HOH1292 2.6 16.0 1.0 C A:LYS652 3.5 13.8 1.0 CA A:LYS652 4.1 15.5 1.0 OG1 A:THR1044 4.1 15.4 1.0 C A:LEU653 4.4 13.2 1.0 O A:LEU653 4.4 12.6 1.0 N A:LEU653 4.6 13.4 1.0 N A:GLY654 4.6 12.2 1.0 O A:GLN651 4.6 13.3 1.0 CA A:GLY654 4.7 12.8 1.0 O A:HOH68 4.8 23.8 1.0 CA A:LEU653 4.9 12.7 1.0 CB A:LYS652 4.9 16.8 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of the Group B Streptococcus Pullulanase Sap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of the Group B Streptococcus Pullulanase Sap within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca3 b:13.6 occ:1.00 O A:TYR687 2.3 11.1 1.0 OD1 A:ASP1010 2.4 9.3 1.0 O A:HOH174 2.4 8.3 1.0 O A:ASN685 2.4 15.7 1.0 O A:HOH1294 2.5 11.4 1.0 O A:HOH1274 2.6 6.9 1.0 O A:HOH1273 2.7 11.4 1.0 CG A:ASP1010 3.5 10.9 1.0 C A:TYR687 3.5 12.2 1.0 C A:ASN685 3.6 13.3 1.0 C A:ASN686 4.1 12.9 1.0 O A:ASN686 4.2 12.6 1.0 N A:TYR687 4.3 12.3 1.0 CB A:ASP1010 4.3 12.9 1.0 CA A:ASP1010 4.3 13.7 1.0 O A:HOH291 4.3 18.6 1.0 OD2 A:ASP1010 4.3 12.5 1.0 CB A:ASN688 4.3 12.2 1.0 N A:ASN688 4.4 13.0 1.0 CA A:ASN688 4.4 12.7 1.0 CA A:TYR687 4.5 12.0 1.0 N A:ASN685 4.5 15.1 1.0 O A:HOH1295 4.5 15.8 1.0 CA A:ASN686 4.5 12.9 1.0 N A:ASN686 4.5 13.6 1.0 CA A:ASN685 4.6 14.2 1.0 O A:TYR1009 4.6 14.8 1.0 O A:TYR668 4.6 11.6 1.0 CG A:ASN688 4.7 12.3 1.0 ND2 A:ASN688 4.7 7.8 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of the Group B Streptococcus Pullulanase Sap


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of the Group B Streptococcus Pullulanase Sap within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca4 b:14.3 occ:1.00 O A:MET852 2.2 9.6 1.0 OD1 A:ASP906 2.3 12.5 1.0 OD1 A:ASP856 2.3 20.5 1.0 O A:THR855 2.4 15.1 1.0 O A:HOH1296 2.4 17.1 1.0 OD2 A:ASP910 2.4 16.0 1.0 OD1 A:ASP910 2.8 19.0 1.0 CG A:ASP910 2.9 16.1 1.0 C A:MET852 3.4 12.0 1.0 C A:THR855 3.4 14.3 1.0 CG A:ASP906 3.5 13.3 1.0 CG A:ASP856 3.6 19.1 1.0 OD2 A:ASP906 4.0 13.4 0.1 N A:ASP856 4.1 15.2 1.0 CA A:ASP856 4.2 16.8 1.0 N A:THR855 4.2 14.2 1.0 CA A:MET852 4.3 10.8 1.0 CB A:ASP910 4.4 13.9 1.0 N A:LYS853 4.4 13.2 1.0 O A:HOH318 4.4 23.1 1.0 N A:SER907 4.4 14.6 1.0 CB A:SER907 4.4 14.9 1.0 OD2 A:ASP856 4.4 19.2 1.0 N A:ASP906 4.4 14.6 1.0 CA A:THR855 4.5 14.0 1.0 CA A:LYS853 4.5 14.1 1.0 CB A:ASP856 4.5 17.9 1.0 C A:LYS853 4.6 14.4 1.0 CB A:ASP906 4.7 17.8 1.0 CB A:MET852 4.7 11.1 1.0 C A:ASP906 4.8 16.0 1.0 N A:SER854 4.8 14.3 1.0 CA A:ASP906 4.8 16.1 1.0 NH2 A:ARG610 4.9 18.5 1.0

L.J.Gourlay, I.Santi, A.Pezzicoli, G.Grandi, M.Soriani, M.Bolognesi. Group B Streptococcus Pullulanase Crystal Structures in the Context of A Novel Strategy For Vaccine Development J.Bacteriol. V. 191 3544 2009.
ISSN: ISSN 0021-9193
PubMed: 19329633
DOI: 10.1128/JB.01755-08