Calcium in PDB 3vlw: Crystal Structure of Sphingomonas Sp. A1 Alginate-Binding Protein ALGQ1 in Complex with Mannuronate-Guluronate Disaccharide

The structure of Crystal Structure of Sphingomonas Sp. A1 Alginate-Binding Protein ALGQ1 in Complex with Mannuronate-Guluronate Disaccharide, PDB code: 3vlw was solved by Y.Nishitani, Y.Maruyama, T.Itoh, B.Mikami, W.Hashimoto, K.Murata, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.759, 67.533, 90.693, 90.00, 93.33, 90.00
R / Rfree (%)	19 / 22.3

The binding sites of Calcium atom in the Crystal Structure of Sphingomonas Sp. A1 Alginate-Binding Protein ALGQ1 in Complex with Mannuronate-Guluronate Disaccharide (pdb code 3vlw). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Sphingomonas Sp. A1 Alginate-Binding Protein ALGQ1 in Complex with Mannuronate-Guluronate Disaccharide, PDB code: 3vlw:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Sphingomonas Sp. A1 Alginate-Binding Protein ALGQ1 in Complex with Mannuronate-Guluronate Disaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Sphingomonas Sp. A1 Alginate-Binding Protein ALGQ1 in Complex with Mannuronate-Guluronate Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:22.1 occ:1.00 OD2 A:ASP171 2.3 22.3 1.0 OD1 A:ASN173 2.3 22.0 1.0 O A:LYS177 2.3 23.7 1.0 OD2 A:ASP179 2.3 21.8 1.0 OE1 A:GLU180 2.3 21.3 1.0 OD1 A:ASN175 2.6 23.7 1.0 OE2 A:GLU180 2.8 20.3 1.0 CD A:GLU180 2.8 20.2 1.0 CG A:ASN173 3.3 22.0 1.0 CG A:ASP179 3.4 21.3 1.0 C A:LYS177 3.5 24.2 1.0 CG A:ASN175 3.5 24.0 1.0 CG A:ASP171 3.5 22.9 1.0 ND2 A:ASN173 3.7 21.5 1.0 N A:LYS177 3.9 25.0 1.0 ND2 A:ASN175 3.9 23.6 1.0 OD1 A:ASP179 4.0 21.4 1.0 N A:ASP179 4.1 21.8 1.0 CA A:ASP171 4.1 22.8 1.0 CA A:LYS177 4.1 24.7 1.0 CG A:GLU180 4.2 19.8 1.0 N A:ASN175 4.2 24.2 1.0 CB A:ASP171 4.3 22.8 1.0 O A:HOH624 4.3 20.1 1.0 OD1 A:ASP171 4.5 23.2 1.0 CB A:LYS177 4.5 25.1 1.0 N A:GLY174 4.5 23.1 1.0 N A:ALA178 4.5 23.7 1.0 N A:ASN173 4.6 22.4 1.0 CB A:ASN173 4.6 22.4 1.0 N A:GLY176 4.6 24.8 1.0 N A:GLU180 4.6 19.9 1.0 C A:ASP171 4.6 22.6 1.0 CB A:ASP179 4.6 21.1 1.0 CB A:ASN175 4.7 24.3 1.0 CA A:ASP179 4.8 21.1 1.0 CA A:ASN175 4.8 24.3 1.0 CA A:ALA178 4.8 23.2 1.0 CA A:ASN173 4.8 22.5 1.0 C A:ASN173 4.8 22.9 1.0 C A:ASN175 4.9 24.6 1.0 C A:GLY176 4.9 25.1 1.0 C A:ALA178 5.0 22.6 1.0 O A:ASP171 5.0 22.3 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Sphingomonas Sp. A1 Alginate-Binding Protein ALGQ1 in Complex with Mannuronate-Guluronate Disaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Sphingomonas Sp. A1 Alginate-Binding Protein ALGQ1 in Complex with Mannuronate-Guluronate Disaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca503 b:24.2 occ:1.00 OD1 B:ASP171 2.3 24.8 1.0 OD1 B:ASN173 2.3 24.8 1.0 O B:LYS177 2.3 24.8 1.0 OE1 B:GLU180 2.3 22.9 1.0 OD2 B:ASP179 2.3 24.1 1.0 OD1 B:ASN175 2.5 26.0 1.0 OE2 B:GLU180 2.8 20.2 1.0 CD B:GLU180 2.8 20.9 1.0 CG B:ASN173 3.2 25.0 1.0 CG B:ASP179 3.5 23.2 1.0 C B:LYS177 3.5 25.1 1.0 CG B:ASN175 3.5 26.1 1.0 ND2 B:ASN173 3.5 24.9 1.0 CG B:ASP171 3.5 25.0 1.0 N B:LYS177 3.9 25.9 1.0 ND2 B:ASN175 4.0 25.8 1.0 OD1 B:ASP179 4.0 23.4 1.0 N B:ASP179 4.1 23.2 1.0 CA B:LYS177 4.2 25.6 1.0 CA B:ASP171 4.2 24.7 1.0 N B:ASN175 4.2 26.4 1.0 CG B:GLU180 4.2 20.6 1.0 CB B:ASP171 4.3 24.7 1.0 N B:GLY174 4.4 25.9 1.0 OD2 B:ASP171 4.4 25.4 1.0 O B:HOH557 4.5 28.2 1.0 N B:ALA178 4.5 24.7 1.0 CB B:ASN173 4.5 25.0 1.0 CB B:LYS177 4.6 25.8 1.0 C B:ASP171 4.6 24.7 1.0 N B:ASN173 4.6 24.9 1.0 N B:GLY176 4.6 26.3 1.0 N B:GLU180 4.6 21.1 1.0 CB B:ASP179 4.7 22.8 1.0 CB B:ASN175 4.7 26.4 1.0 CA B:ALA178 4.8 24.4 1.0 CA B:ASN175 4.8 26.4 1.0 CA B:ASP179 4.8 22.6 1.0 CA B:ASN173 4.8 25.2 1.0 C B:ASN173 4.8 25.5 1.0 C B:ASN175 4.9 26.4 1.0 C B:GLY176 4.9 26.0 1.0 C B:ALA178 5.0 23.9 1.0 O B:ASP171 5.0 24.6 1.0

Y.Nishitani, Y.Maruyama, T.Itoh, B.Mikami, W.Hashimoto, K.Murata. Recognition of Heteropolysaccharide Alginate By Periplasmic Solute-Binding Proteins of A Bacterial Abc Transporter Biochemistry V. 51 3622 2012.
ISSN: ISSN 0006-2960
PubMed: 22486720
DOI: 10.1021/BI300194F