Calcium in PDB 3fax: The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose

The structure of The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose, PDB code: 3fax 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 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.214, 102.862, 171.690, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 28.3

The structure of The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

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

Calcium binding site 1 out of 4 in the The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1223 b:30.7 occ:1.00 O A:HOH52 2.3 22.3 1.0 O A:LYS708 2.3 31.9 1.0 O A:HOH57 2.4 12.6 1.0 O A:LYS510 2.6 37.4 1.0 OH A:TYR547 2.7 39.2 1.0 C A:LYS708 3.4 35.4 1.0 C A:LYS510 3.7 37.7 1.0 CZ A:TYR547 3.9 38.1 1.0 CD A:PRO710 4.2 34.5 1.0 CE1 A:TYR547 4.2 38.0 1.0 N A:ASP709 4.2 34.7 1.0 CB A:LYS708 4.3 38.6 1.0 CA A:LYS708 4.3 36.5 1.0 CA A:ASP709 4.4 35.2 1.0 CA A:LYS510 4.5 38.7 1.0 O A:HOH46 4.5 3.0 0.5 O A:GLY545 4.7 31.3 1.0 N A:ASP511 4.7 36.2 1.0 CB A:LYS510 4.7 39.9 1.0 OD1 A:ASP511 4.8 36.8 1.0 CA A:ASP511 4.9 36.3 1.0 OE2 A:GLU571 4.9 33.5 1.0 CE2 A:TYR547 5.0 38.2 1.0

Calcium binding site 2 out of 4 in the The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1224 b:43.1 occ:1.00 O A:ASN685 2.4 36.0 1.0 O A:TYR687 2.4 31.6 1.0 OD1 A:ASP1010 2.5 36.0 1.0 CG A:ASP1010 3.6 36.9 1.0 C A:TYR687 3.6 33.2 1.0 C A:ASN685 3.6 35.0 1.0 C A:ASN686 4.2 33.6 1.0 CA A:ASP1010 4.2 38.7 1.0 CB A:ASN688 4.3 30.4 1.0 OD2 A:ASP1010 4.3 36.1 1.0 CB A:ASP1010 4.4 37.8 1.0 N A:ASN685 4.4 36.7 1.0 N A:TYR687 4.4 32.0 1.0 CA A:ASN688 4.4 31.0 1.0 N A:ASN688 4.4 32.3 1.0 O A:ASN686 4.4 35.3 1.0 CA A:ASN686 4.5 33.7 1.0 N A:ASN686 4.5 34.0 1.0 O A:TYR1009 4.5 41.3 1.0 O A:TYR668 4.5 34.3 1.0 CA A:ASN685 4.5 35.5 1.0 CA A:TYR687 4.6 32.4 1.0 CG A:ASN688 4.7 29.3 1.0 ND2 A:ASN688 4.9 25.6 1.0

Calcium binding site 3 out of 4 in the The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1225 b:57.1 occ:1.00 O A:LYS652 2.5 32.4 1.0 O A:HOH59 2.6 20.1 1.0 C A:LYS652 3.7 32.9 1.0 OG1 A:THR1044 3.8 32.2 1.0 CA A:LYS652 4.3 33.6 1.0 N A:GLY654 4.6 33.9 1.0 C A:LEU653 4.6 34.3 1.0 CA A:GLY654 4.7 32.7 1.0 O A:GLN651 4.7 32.1 1.0 N A:LEU653 4.8 32.4 1.0 O A:LEU653 4.8 35.3 1.0 CB A:THR1044 5.0 33.2 1.0

Calcium binding site 4 out of 4 in the The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Crystal Structure of Gbs Pullulanase Sap in Complex with Maltotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca4 b:45.3 occ:1.00 O A:THR855 2.3 32.2 1.0 OD1 A:ASP906 2.3 36.9 1.0 O A:MET852 2.3 32.3 1.0 OD1 A:ASP856 2.4 35.3 1.0 OD2 A:ASP910 2.4 33.6 1.0 OD1 A:ASP910 2.9 37.1 1.0 CG A:ASP910 3.0 34.5 1.0 CG A:ASP856 3.4 35.8 1.0 C A:THR855 3.4 33.3 1.0 CG A:ASP906 3.4 34.6 1.0 C A:MET852 3.6 33.8 1.0 OD2 A:ASP906 3.9 37.1 1.0 OD2 A:ASP856 4.1 38.5 1.0 CA A:ASP856 4.1 33.1 1.0 N A:ASP856 4.2 33.0 1.0 N A:THR855 4.2 36.5 1.0 O A:LYS853 4.3 40.9 1.0 CB A:SER907 4.3 31.7 1.0 CA A:MET852 4.3 31.5 1.0 CB A:ASP856 4.4 34.4 1.0 N A:SER907 4.4 33.0 1.0 C A:LYS853 4.4 39.7 1.0 CB A:ASP910 4.4 33.7 1.0 CA A:THR855 4.5 35.4 1.0 N A:ASP906 4.6 31.6 1.0 N A:LYS853 4.6 36.2 1.0 CA A:LYS853 4.7 37.7 1.0 CB A:ASP906 4.7 34.2 1.0 C A:ASP906 4.7 32.5 1.0 CB A:MET852 4.8 31.1 1.0 NH2 A:ARG610 4.8 48.4 1.0 CA A:ASP906 4.9 32.9 1.0 N A:SER854 4.9 40.2 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