Calcium in PDB 3pf2: The Crystal Structure of the Major Pilin GBS80 of Streptococcus Agalactiae 35KDA C-Terminal Fragment

The structure of The Crystal Structure of the Major Pilin GBS80 of Streptococcus Agalactiae 35KDA C-Terminal Fragment, PDB code: 3pf2 was solved by K.Vengadesan, S.V.L.Narayana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.508, 34.658, 74.610, 90.00, 93.29, 90.00
R / Rfree (%)	20.3 / 23.8

The binding sites of Calcium atom in the The Crystal Structure of the Major Pilin GBS80 of Streptococcus Agalactiae 35KDA C-Terminal Fragment (pdb code 3pf2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Crystal Structure of the Major Pilin GBS80 of Streptococcus Agalactiae 35KDA C-Terminal Fragment, PDB code: 3pf2:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Crystal Structure of the Major Pilin GBS80 of Streptococcus Agalactiae 35KDA C-Terminal Fragment


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 the Major Pilin GBS80 of Streptococcus Agalactiae 35KDA C-Terminal Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1 b:11.2 occ:1.00 OD1 A:ASP211 2.2 11.3 1.0 OD1 A:ASP218 2.3 9.2 1.0 O A:HOH721 2.4 13.1 1.0 O A:LYS210 2.4 10.3 1.0 O A:HOH722 2.4 11.8 1.0 OD2 A:ASP209 2.5 10.5 1.0 OD1 A:ASP209 2.5 9.8 1.0 CG A:ASP209 2.9 8.8 1.0 C A:LYS210 3.3 9.5 1.0 CG A:ASP218 3.3 10.7 1.0 CG A:ASP211 3.5 10.5 1.0 OD2 A:ASP218 3.7 12.0 1.0 N A:ASP211 4.0 10.2 1.0 N A:LYS210 4.0 9.5 1.0 CA A:ASP211 4.0 10.1 1.0 CA A:LYS210 4.3 9.7 1.0 CB A:ASP211 4.3 10.4 1.0 CB A:ASP209 4.4 10.2 1.0 OD2 A:ASP211 4.4 11.1 1.0 O A:HOH719 4.4 18.9 1.0 NZ A:LYS233 4.5 10.4 1.0 O A:ASP319 4.6 12.8 1.0 O A:HOH54 4.6 18.1 1.0 CB A:ASP218 4.6 10.5 1.0 O A:ARG374 4.7 13.5 1.0 O A:HOH26 4.8 14.7 1.0 C A:ASP209 4.8 10.1 1.0 CD A:PRO376 4.9 9.3 1.0

Calcium binding site 2 out of 2 in the The Crystal Structure of the Major Pilin GBS80 of Streptococcus Agalactiae 35KDA C-Terminal Fragment


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 the Major Pilin GBS80 of Streptococcus Agalactiae 35KDA C-Terminal Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca2 b:15.0 occ:1.00 OD1 A:ASP358 2.4 11.6 1.0 OD1 A:ASP362 2.4 13.6 1.0 OE1 A:GLU244 2.4 15.1 1.0 OD1 A:ASN366 2.4 13.8 1.0 O A:ALA364 2.5 18.1 1.0 O A:THR360 2.5 17.1 1.0 OD2 A:ASP358 2.6 14.5 1.0 OG1 A:THR360 2.6 15.5 1.0 CG A:ASP358 2.8 11.5 1.0 CD A:GLU244 3.3 16.4 1.0 CG A:ASN366 3.4 15.7 1.0 CG A:ASP362 3.4 17.9 1.0 C A:THR360 3.5 16.3 1.0 C A:ALA364 3.7 18.3 1.0 CB A:THR360 3.7 15.8 1.0 ND2 A:ASN366 3.8 16.8 1.0 OD2 A:ASP362 3.9 18.2 1.0 CA A:THR360 4.0 16.0 1.0 OE2 A:GLU244 4.1 16.7 1.0 N A:ALA364 4.2 18.6 1.0 CG A:GLU244 4.2 15.7 1.0 N A:THR360 4.2 16.0 1.0 N A:ASP362 4.2 18.4 1.0 N A:ASN366 4.3 16.5 1.0 CB A:ASP358 4.3 13.2 1.0 CA A:ALA364 4.4 18.1 1.0 O A:HOH19 4.5 14.7 1.0 CB A:GLU244 4.5 15.9 1.0 O A:HOH172 4.6 23.7 1.0 CB A:ASP362 4.7 18.4 1.0 N A:ASP365 4.7 18.1 1.0 N A:PRO361 4.7 17.0 1.0 CB A:ASN366 4.7 15.6 1.0 CB A:ALA364 4.8 18.1 1.0 CA A:ASP362 4.8 18.6 1.0 N A:LYS363 4.8 18.7 1.0 CA A:ASN366 4.9 15.8 1.0 CA A:ASP365 4.9 17.8 1.0 CG2 A:THR360 5.0 15.4 1.0

K.Vengadesan, X.Ma, P.Dwivedi, H.Ton-That, S.V.L.Narayana. A Model For Group B Streptococcus Pilus Type 1: the Structure of A 35-kDa C-Terminal Fragment of the Major Pilin GBS80. J.Mol.Biol. V. 407 731 2011.
ISSN: ISSN 0022-2836
PubMed: 21333654
DOI: 10.1016/J.JMB.2011.02.024