Calcium in PDB 2j1u: Structure of A Streptococcus Pneumoniae Fucose Binding Module in Complex with the Blood Group A-Tetrasaccharide

The structure of Structure of A Streptococcus Pneumoniae Fucose Binding Module in Complex with the Blood Group A-Tetrasaccharide, PDB code: 2j1u was solved by A.B.Boraston, D.Wang, R.D.Burke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.30 / 1.8
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.649, 60.372, 99.087, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 23.6

The binding sites of Calcium atom in the Structure of A Streptococcus Pneumoniae Fucose Binding Module in Complex with the Blood Group A-Tetrasaccharide (pdb code 2j1u). 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 A Streptococcus Pneumoniae Fucose Binding Module in Complex with the Blood Group A-Tetrasaccharide, PDB code: 2j1u:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Structure of A Streptococcus Pneumoniae Fucose Binding Module in Complex with the Blood Group A-Tetrasaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of A Streptococcus Pneumoniae Fucose Binding Module in Complex with the Blood Group A-Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1151 b:23.3 occ:1.00 O A:ALA143 2.2 22.4 1.0 O A:ARG37 2.3 22.9 1.0 O A:ASN42 2.3 25.1 1.0 OE1 A:GLU144 2.4 27.1 1.0 OG A:SER51 2.5 21.6 0.5 OD1 A:ASP40 2.5 24.9 1.0 O A:SER51 2.5 25.9 1.0 OG A:SER51 3.0 27.2 0.5 CG A:ASP40 3.4 27.2 1.0 CB A:SER51 3.4 25.6 0.5 C A:ALA143 3.5 24.1 1.0 C A:ASN42 3.5 26.0 1.0 C A:ARG37 3.5 23.4 1.0 C A:SER51 3.6 24.9 1.0 CB A:SER51 3.6 26.2 0.5 CD A:GLU144 3.6 25.7 1.0 OD2 A:ASP40 3.7 28.1 1.0 CA A:SER51 3.9 25.8 0.5 CA A:SER51 3.9 25.0 0.5 CB A:ASN42 4.1 25.7 1.0 CA A:ASN42 4.1 26.6 1.0 CB A:GLU144 4.1 24.1 1.0 N A:ASN42 4.1 26.9 1.0 CA A:ALA38 4.2 23.1 1.0 N A:ALA38 4.3 22.2 1.0 CA A:GLU144 4.3 25.0 1.0 N A:GLU144 4.4 23.8 1.0 CG A:GLU144 4.5 25.3 1.0 CA A:ALA143 4.5 24.8 1.0 OE2 A:GLU144 4.5 23.7 1.0 CA A:ARG37 4.5 24.0 1.0 N A:ASP40 4.5 24.6 1.0 C A:ALA38 4.6 23.2 1.0 N A:ARG43 4.6 25.4 1.0 CB A:ASP40 4.7 27.3 1.0 N A:VAL52 4.8 23.1 1.0 CG A:ASN42 4.9 27.9 1.0 CA A:ARG43 4.9 26.3 1.0 N A:VAL39 4.9 22.1 1.0 CB A:ARG37 4.9 23.9 1.0 O A:ASN44 5.0 26.4 1.0

Calcium binding site 2 out of 2 in the Structure of A Streptococcus Pneumoniae Fucose Binding Module in Complex with the Blood Group A-Tetrasaccharide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of A Streptococcus Pneumoniae Fucose Binding Module in Complex with the Blood Group A-Tetrasaccharide within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1152 b:24.7 occ:1.00 O B:ALA143 2.3 25.7 1.0 O B:ARG37 2.3 24.1 1.0 O B:ASN42 2.4 28.5 1.0 OD1 B:ASP40 2.4 28.0 1.0 OG B:SER51 2.4 35.2 1.0 OE1 B:GLU144 2.4 25.5 1.0 O B:SER51 2.5 25.5 1.0 CG B:ASP40 3.3 25.0 1.0 C B:SER51 3.5 26.0 1.0 C B:ASN42 3.5 28.3 1.0 C B:ALA143 3.5 23.8 1.0 C B:ARG37 3.5 24.9 1.0 OD2 B:ASP40 3.6 24.2 1.0 CB B:SER51 3.6 28.9 1.0 CD B:GLU144 3.6 24.5 1.0 CA B:SER51 3.8 27.6 1.0 CB B:GLU144 4.1 24.4 1.0 N B:ASN42 4.1 28.4 1.0 CB B:ASN42 4.1 27.9 1.0 CA B:ASN42 4.2 28.1 1.0 CA B:ALA38 4.2 23.3 1.0 CA B:GLU144 4.3 25.3 1.0 N B:GLU144 4.3 24.4 1.0 N B:ALA38 4.3 24.0 1.0 CG B:GLU144 4.4 24.3 1.0 OE2 B:GLU144 4.4 27.0 1.0 N B:ASP40 4.4 24.7 1.0 CB B:ASP40 4.5 25.6 1.0 CA B:ARG37 4.5 25.2 1.0 CA B:ALA143 4.5 24.3 1.0 C B:ALA38 4.6 24.5 1.0 N B:ARG43 4.6 29.2 1.0 N B:VAL52 4.7 25.6 1.0 CA B:ASP40 4.8 25.7 1.0 O B:ASN44 4.9 26.4 1.0 CB B:ARG37 4.9 24.5 1.0 CA B:ARG43 4.9 28.4 1.0 N B:VAL39 4.9 24.2 1.0 N B:GLY41 5.0 26.4 1.0

A.B.Boraston, D.Wang, R.D.Burke. Blood Group Antigen Recognition By A Streptococcus Pneumoniae Virulence Factor J.Biol.Chem. V. 281 35263 2006.
ISSN: ISSN 0021-9258
PubMed: 16987809
DOI: 10.1074/JBC.M607620200