Calcium in PDB 5g62: S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose

The structure of S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose, PDB code: 5g62 was solved by S.Culurgioni, G.Harris, A.K.Singh, S.J.King, M.A.Walsh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	77.17 / 1.99
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	122.580, 122.580, 169.470, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.8

The binding sites of Calcium atom in the S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose (pdb code 5g62). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose, PDB code: 5g62:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca545 b:31.5 occ:1.00 O A:PHE264 2.3 23.5 1.0 OD1 A:ASN268 2.4 24.6 1.0 OD1 A:ASP263 2.5 26.0 1.0 OD1 A:ASP267 2.5 25.3 1.0 O A:HOH2282 2.5 34.9 1.0 O A:HOH2280 2.6 35.6 1.0 O A:HOH2286 2.7 36.6 1.0 CG A:ASN268 3.4 23.6 1.0 C A:PHE264 3.5 23.2 1.0 CG A:ASP267 3.5 25.2 1.0 CG A:ASP263 3.6 23.3 1.0 ND2 A:ASN268 3.9 23.1 1.0 OD2 A:ASP267 3.9 27.2 1.0 N A:PHE264 3.9 22.6 1.0 O A:HOH2288 4.0 38.4 1.0 CA A:PHE264 4.2 23.1 1.0 O A:HOH2281 4.2 34.7 1.0 OD2 A:ASP263 4.2 21.7 1.0 CB A:PHE264 4.5 23.5 1.0 O A:HOH2278 4.5 40.5 1.0 N A:ASN268 4.5 21.9 1.0 N A:THR265 4.5 23.5 1.0 C A:ASP263 4.5 23.4 1.0 C A:ASP267 4.6 23.0 1.0 CB A:ASN268 4.6 21.6 1.0 O A:HOH2285 4.7 46.4 1.0 CA A:THR265 4.7 24.2 1.0 CA A:ASN268 4.7 22.4 1.0 CA A:ASP263 4.7 22.7 1.0 CB A:ASP263 4.8 23.5 1.0 CB A:ASP267 4.8 24.6 1.0 N A:ASP267 4.8 24.9 1.0 O A:HOH2110 4.9 54.9 1.0 O A:ASP267 4.9 23.4 1.0 C A:THR265 4.9 23.5 1.0 CA A:ASP267 5.0 23.5 1.0

Calcium binding site 2 out of 3 in the S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca546 b:46.7 occ:1.00 OD1 A:ASP215 2.2 35.8 1.0 O A:HOH2217 2.4 41.6 1.0 O A:LYS212 2.5 28.0 1.0 O A:HOH2226 2.5 52.1 1.0 O A:HOH2215 2.5 35.3 1.0 O A:HOH2216 2.5 49.2 1.0 O A:HOH2227 2.6 49.0 1.0 CG A:ASP215 3.4 35.9 1.0 C A:LYS212 3.7 25.5 1.0 O A:HOH2225 3.8 58.3 1.0 OD2 A:ASP215 4.1 40.4 1.0 CA A:ASP215 4.3 30.6 1.0 N A:ASP215 4.3 29.2 1.0 O A:HOH2232 4.4 54.6 1.0 CA A:LYS212 4.4 25.0 1.0 CB A:ASP215 4.4 34.7 1.0 O A:GLY218 4.6 28.8 1.0 O A:HOH2229 4.6 35.3 1.0 O A:HOH2223 4.6 48.2 1.0 O A:PHE211 4.7 26.6 1.0 N A:ASN213 4.7 28.0 1.0 O A:GLY220 4.8 43.8 1.0 O A:ASN219 4.8 46.0 1.0 CA A:ASN213 4.8 29.3 1.0 C A:ASN213 4.9 30.2 1.0 CG A:LYS212 4.9 25.1 1.0

Calcium binding site 3 out of 3 in the S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of S.Pneumoniae Abc-Transporter Substrate Binding Protein Fusa Ef-Hand Mutant in Complex with Fructo-Nystose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca545 b:33.9 occ:1.00 OD1 B:ASP263 2.4 28.5 1.0 O B:PHE264 2.4 25.9 1.0 OD1 B:ASN268 2.4 25.7 1.0 OD1 B:ASP267 2.5 28.1 1.0 O B:HOH2198 2.5 34.0 1.0 O B:HOH2204 2.5 39.1 1.0 O B:HOH2200 2.7 38.6 1.0 O B:HOH2378 2.8 54.4 1.0 CG B:ASN268 3.3 25.3 1.0 C B:PHE264 3.5 24.4 1.0 CG B:ASP263 3.5 28.6 1.0 CG B:ASP267 3.5 27.5 1.0 ND2 B:ASN268 3.8 25.1 1.0 OD2 B:ASP267 3.9 28.0 1.0 N B:PHE264 3.9 23.4 1.0 O B:HOH2206 4.1 37.7 1.0 OD2 B:ASP263 4.1 26.7 1.0 CA B:PHE264 4.2 24.2 1.0 O B:HOH2199 4.3 37.9 1.0 N B:ASN268 4.5 23.9 1.0 CB B:PHE264 4.5 25.6 1.0 N B:THR265 4.5 25.4 1.0 C B:ASP263 4.5 24.6 1.0 C B:ASP267 4.5 24.9 1.0 O B:HOH2196 4.6 40.5 1.0 CB B:ASN268 4.6 23.9 1.0 O B:HOH2087 4.6 57.1 1.0 CA B:ASN268 4.7 24.0 1.0 CA B:THR265 4.7 26.4 1.0 CB B:ASP263 4.7 27.5 1.0 CA B:ASP263 4.7 26.3 1.0 O B:HOH2203 4.8 40.6 1.0 N B:ASP267 4.8 25.8 1.0 CB B:ASP267 4.8 26.3 1.0 O B:ASP267 4.8 24.4 1.0 C B:THR265 4.9 25.4 1.0 CA B:ASP267 4.9 25.8 1.0

S.Culurgioni, G.Harris, A.K.Singh, S.J.King, M.A.Walsh. Structural Basis For Regulation and Specificity of Fructooligosaccharide Import in Streptococcus Pneumoniae. Structure V. 25 79 2017.
ISSN: ISSN 1878-4186
PubMed: 27939783
DOI: 10.1016/J.STR.2016.11.008