Calcium in PDB 1ofs: Pea Lectin-Sucrose Complex

The structure of Pea Lectin-Sucrose Complex, PDB code: 1ofs was solved by M.B.Shevtsov, I.N.Tsygannik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.86 / 1.8
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.831, 60.803, 136.087, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20.657

The structure of Pea Lectin-Sucrose Complex also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the Pea Lectin-Sucrose Complex (pdb code 1ofs). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Pea Lectin-Sucrose Complex, PDB code: 1ofs:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Pea Lectin-Sucrose Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Pea Lectin-Sucrose Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1183 b:19.0 occ:1.00 OD1 A:ASN125 2.3 21.5 1.0 OD2 A:ASP129 2.3 18.8 1.0 O A:PHE123 2.3 20.8 1.0 OD1 A:ASP121 2.4 15.1 1.0 O A:HOH2062 2.4 19.8 1.0 OD2 A:ASP121 2.4 15.4 1.0 O A:HOH2070 2.4 15.5 1.0 CG A:ASP121 2.8 17.9 1.0 CG A:ASP129 3.4 18.2 1.0 CG A:ASN125 3.4 20.1 1.0 C A:PHE123 3.5 21.1 1.0 OD1 A:ASP129 3.7 19.4 1.0 N A:ASN125 4.0 20.1 1.0 CB A:ASN125 4.0 23.4 1.0 MN A:MN1182 4.1 20.7 1.0 CB A:ASP121 4.3 17.5 1.0 N A:PHE123 4.3 20.1 1.0 CA A:PHE123 4.3 19.4 1.0 O A:HOH2133 4.5 19.5 1.0 O A:GLY99 4.5 19.3 1.0 N A:TYR124 4.5 20.3 1.0 NE1 A:TRP128 4.5 18.5 1.0 ND2 A:ASN125 4.6 24.6 1.0 CB A:PHE123 4.6 19.6 1.0 CA A:TYR124 4.7 21.6 1.0 C A:TYR124 4.7 22.9 1.0 CA A:ASN125 4.7 22.0 1.0 O A:ASP81 4.7 16.0 1.0 CB A:ASP129 4.7 21.6 1.0 CD2 A:PHE123 4.8 21.2 1.0 OD2 A:ASP81 4.8 20.3 1.0 CE1 A:HIS136 4.8 23.5 1.0 CA A:GLY99 4.9 17.7 1.0 NE2 A:HIS136 5.0 19.0 1.0

Calcium binding site 2 out of 2 in the Pea Lectin-Sucrose Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Pea Lectin-Sucrose Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1183 b:19.0 occ:1.00 O C:PHE123 2.3 19.5 1.0 OD2 C:ASP129 2.3 21.6 1.0 OD1 C:ASN125 2.3 22.6 1.0 O C:HOH2076 2.4 18.6 1.0 OD2 C:ASP121 2.4 15.5 1.0 O C:HOH2070 2.4 17.9 1.0 OD1 C:ASP121 2.5 19.8 1.0 CG C:ASP121 2.8 17.5 1.0 CG C:ASP129 3.4 22.6 1.0 CG C:ASN125 3.5 22.5 1.0 C C:PHE123 3.5 20.4 1.0 OD1 C:ASP129 3.8 17.2 1.0 N C:ASN125 4.0 21.3 1.0 CB C:ASN125 4.1 21.5 1.0 MN C:MN1182 4.2 19.8 1.0 CB C:ASP121 4.3 15.4 1.0 CA C:PHE123 4.3 19.5 1.0 N C:PHE123 4.4 18.5 1.0 NE1 C:TRP128 4.5 18.4 1.0 N C:TYR124 4.5 21.3 1.0 CB C:PHE123 4.5 19.2 1.0 O C:HOH2145 4.5 19.2 1.0 O C:GLY99 4.5 19.2 1.0 ND2 C:ASN125 4.6 16.6 1.0 CA C:TYR124 4.6 22.1 1.0 C C:TYR124 4.6 22.7 1.0 O C:ASP81 4.7 18.9 1.0 CA C:ASN125 4.7 21.1 1.0 CB C:ASP129 4.7 19.6 1.0 OD1 C:ASP81 4.8 20.5 1.0 CA C:GLY99 4.9 19.6 1.0 CD2 C:PHE123 4.9 23.0 1.0 CE1 C:HIS136 4.9 15.2 1.0

M.B.Shevtsov, I.N.Tsygannik. Pea Lectin-Sucrose Complex To Be Published.