Calcium in PDB 5h71: Structure of Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide

The structure of Structure of Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide, PDB code: 5h71 was solved by K.Uenishi, A.Kaneko, Y.Maruyama, B.Mikami, K.Murata, W.Hashimoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.85 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.274, 53.150, 127.451, 90.00, 93.63, 90.00
R / Rfree (%)	16.7 / 19.7

The structure of Structure of Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Calcium atom in the Structure of Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide (pdb code 5h71). 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 Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide, PDB code: 5h71:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:13.0 occ:1.00 OD1 A:ASP171 2.3 13.7 1.0 OD1 A:ASP179 2.4 14.7 1.0 O A:LYS177 2.4 16.2 1.0 OD1 A:ASN173 2.4 15.7 1.0 OD1 A:ASN175 2.4 14.9 1.0 OE1 A:GLU180 2.5 13.6 1.0 OE2 A:GLU180 2.6 12.1 1.0 CD A:GLU180 2.8 14.4 1.0 CG A:ASN173 3.2 13.8 1.0 CG A:ASN175 3.3 12.9 1.0 CG A:ASP171 3.5 19.3 1.0 CG A:ASP179 3.5 14.3 1.0 C A:LYS177 3.5 17.6 1.0 ND2 A:ASN173 3.6 15.0 1.0 ND2 A:ASN175 3.8 16.0 1.0 N A:LYS177 3.9 18.2 1.0 OD2 A:ASP179 4.0 16.9 1.0 N A:ASP179 4.1 16.9 1.0 CA A:ASP171 4.1 15.7 1.0 CA A:LYS177 4.1 15.1 1.0 N A:ASN175 4.2 15.4 1.0 CB A:ASP171 4.3 14.7 1.0 CG A:GLU180 4.3 15.2 1.0 OD2 A:ASP171 4.4 16.4 1.0 CB A:LYS177 4.4 17.4 1.0 O A:HOH747 4.5 15.7 1.0 N A:GLY174 4.5 14.3 1.0 C A:ASP171 4.5 15.7 1.0 N A:ASN173 4.5 13.5 1.0 CB A:ASN173 4.5 14.6 1.0 N A:GLU180 4.6 14.1 1.0 N A:ALA178 4.6 16.8 1.0 CB A:ASN175 4.6 17.8 1.0 N A:GLY176 4.6 16.4 1.0 CB A:ASP179 4.7 16.4 1.0 CA A:ASN175 4.8 17.9 1.0 O A:ASP171 4.8 14.6 1.0 C A:ASN173 4.8 15.1 1.0 CA A:ASP179 4.8 15.5 1.0 CA A:ALA178 4.8 16.6 1.0 CA A:ASN173 4.8 13.4 1.0 C A:ASN175 4.9 15.9 1.0 C A:ALA178 5.0 17.3 1.0

Calcium binding site 2 out of 2 in the Structure of Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Alginate-Binding Protein ALGQ2 in Complex with An Alginate Trisaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca504 b:16.7 occ:1.00 OD1 B:ASP171 2.3 16.3 1.0 O B:LYS177 2.3 19.9 1.0 OD1 B:ASP179 2.4 16.7 1.0 OD1 B:ASN173 2.4 20.3 1.0 OD1 B:ASN175 2.4 18.5 1.0 OE1 B:GLU180 2.5 16.4 1.0 OE2 B:GLU180 2.6 14.9 1.0 CD B:GLU180 2.8 16.3 1.0 CG B:ASN173 3.2 17.3 1.0 CG B:ASN175 3.4 21.6 1.0 CG B:ASP171 3.5 19.1 1.0 C B:LYS177 3.5 20.0 1.0 CG B:ASP179 3.5 16.8 1.0 ND2 B:ASN173 3.6 16.2 1.0 ND2 B:ASN175 3.9 22.4 1.0 N B:LYS177 3.9 23.6 1.0 CA B:ASP171 4.1 14.8 1.0 N B:ASP179 4.1 17.0 1.0 OD2 B:ASP179 4.1 19.3 1.0 CA B:LYS177 4.1 21.9 1.0 N B:ASN175 4.2 20.9 1.0 CB B:ASP171 4.2 14.9 1.0 CG B:GLU180 4.3 14.0 1.0 O B:HOH836 4.3 14.6 1.0 OD2 B:ASP171 4.4 19.3 1.0 N B:GLY174 4.4 17.4 1.0 CB B:LYS177 4.4 23.9 1.0 C B:ASP171 4.5 13.9 1.0 CB B:ASN173 4.5 15.7 1.0 N B:ASN173 4.5 16.6 1.0 N B:GLU180 4.5 14.8 1.0 N B:ALA178 4.6 21.4 1.0 N B:GLY176 4.6 22.9 1.0 CB B:ASP179 4.6 16.6 1.0 CB B:ASN175 4.7 20.7 1.0 C B:ASN173 4.8 18.2 1.0 CA B:ASP179 4.8 16.6 1.0 CA B:ALA178 4.8 18.5 1.0 O B:ASP171 4.8 16.2 1.0 CA B:ASN175 4.8 21.9 1.0 CA B:ASN173 4.8 16.6 1.0 C B:ASN175 4.9 22.2 1.0 C B:ALA178 5.0 18.2 1.0 C B:GLY176 5.0 26.6 1.0

A.Kaneko, K.Uenishi, Y.Maruyama, N.Mizuno, S.Baba, T.Kumasaka, B.Mikami, K.Murata, W.Hashimoto. A Solute-Binding Protein in the Closed Conformation Induces Atp Hydrolysis in A Bacterial Atp-Binding Cassette Transporter Involved in the Import of Alginate J. Biol. Chem. V. 292 15681 2017.
ISSN: ESSN 1083-351X
PubMed: 28768763
DOI: 10.1074/JBC.M117.793992