Calcium in PDB 2ww8: Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae

The structure of Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae, PDB code: 2ww8 was solved by T.Izore, C.Contreras-Martel, L.El-Mortaji, C.Manzano, R.Terrasse, T.Vernet, A.M.Di-Guilmi, A.Dessen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	149.07 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.081, 82.700, 299.338, 90.00, 90.00, 90.00
R / Rfree (%)	19.518 / 23.46

The structure of Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae (pdb code 2ww8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae, PDB code: 2ww8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:21.6 occ:1.00 O A:ASN526 2.3 15.3 1.0 OD2 A:ASP530 2.4 13.1 1.0 O A:HOH2336 2.4 19.8 1.0 OD2 A:ASP367 2.4 15.1 1.0 O A:HOH2339 2.4 18.5 1.0 O A:HOH2515 2.5 11.6 1.0 OD1 A:ASP367 2.6 15.2 1.0 CG A:ASP367 2.9 16.4 1.0 CG A:ASP530 3.4 14.7 1.0 C A:ASN526 3.5 13.5 1.0 OD1 A:ASP530 3.7 16.1 1.0 OG1 A:THR371 4.2 13.1 1.0 CA A:ASN526 4.3 12.8 1.0 CB A:ASP367 4.4 14.8 1.0 OH A:TYR532 4.4 13.1 1.0 N A:ILE527 4.5 12.8 1.0 CB A:ASN526 4.5 13.3 1.0 CA A:ILE527 4.6 14.0 1.0 O A:HOH2507 4.7 16.7 1.0 O A:HOH2509 4.7 14.6 1.0 O A:HOH2065 4.7 45.3 1.0 CB A:ASP530 4.8 14.0 1.0 O A:HOH2510 4.9 24.1 1.0

Calcium binding site 2 out of 2 in the Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of the Pilus Adhesin (Rrga) From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:37.4 occ:1.00 O A:ARG615 2.4 19.5 1.0 OD2 A:ASP620 2.4 14.7 1.0 OD1 A:ASP617 2.4 28.7 1.0 O A:HOH2609 2.5 23.3 1.0 O A:LEU610 2.5 19.1 1.0 OD1 A:ASP613 2.7 28.7 1.0 OD1 A:ASP620 2.8 12.8 1.0 OD2 A:ASP613 2.9 36.1 1.0 CG A:ASP620 2.9 13.5 1.0 CG A:ASP613 3.1 32.9 1.0 C A:LEU610 3.4 21.1 1.0 CG A:ASP617 3.6 22.2 1.0 C A:ARG615 3.6 20.5 1.0 CA A:LEU610 4.1 18.9 1.0 N A:ASP617 4.2 17.8 1.0 O A:HOH2615 4.2 16.8 1.0 CB A:ASP617 4.3 16.0 1.0 N A:ARG615 4.3 22.2 1.0 N A:GLY611 4.4 23.6 1.0 CB A:ASP620 4.4 12.8 1.0 CB A:LEU610 4.5 18.9 1.0 OD2 A:ASP617 4.5 25.1 1.0 N A:PHE616 4.6 18.2 1.0 CA A:ARG615 4.6 22.2 1.0 CA A:PHE616 4.6 18.4 1.0 CB A:ASP613 4.7 30.3 1.0 O A:HOH2619 4.7 32.4 1.0 C A:PHE616 4.7 18.1 1.0 CA A:GLY611 4.7 27.0 1.0 O A:HOH2612 4.7 27.7 1.0 CA A:ASP617 4.8 14.9 1.0 CB A:ALA619 4.9 11.7 1.0 C A:GLY611 5.0 28.3 1.0 O A:ASP617 5.0 12.8 1.0 O A:HOH2620 5.0 29.7 1.0 O A:GLY611 5.0 29.1 1.0

T.Izore, C.Contreras-Martel, L.El-Mortaji, C.Manzano, R.Terrasse, T.Vernet, A.M.Di-Guilmi, A.Dessen. Structural Basis of Host Cell Recognition By the Pilus Adhesin From Streptococcus Pneumoniae Structure V. 18 106 2010.
ISSN: ISSN 0969-2126
PubMed: 20152157
DOI: 10.1016/J.STR.2009.10.019