Calcium in PDB 1log: X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution

The structure of X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution, PDB code: 1log was solved by Y.Bourne, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	137.100, 63.300, 54.600, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / n/a

The structure of X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution (pdb code 1log). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution, PDB code: 1log:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca561 b:16.9 occ:1.00 O A:HOH746 1.6 47.0 1.0 O A:HOH745 1.6 22.5 1.0 OD1 A:ASN125 1.8 13.0 1.0 O A:PHE123 2.1 18.9 1.0 OD2 A:ASP129 2.5 9.5 1.0 OD1 A:ASP121 2.6 18.5 1.0 OD2 A:ASP121 3.0 19.1 1.0 CG A:ASN125 3.1 12.1 1.0 CG A:ASP121 3.2 16.0 1.0 C A:PHE123 3.3 13.8 1.0 CG A:ASP129 3.6 9.0 1.0 OD1 A:ASP129 3.9 12.4 1.0 CB A:ASN125 3.9 11.4 1.0 N A:ASN125 4.1 16.2 1.0 ND2 A:ASN125 4.1 8.5 1.0 CA A:PHE123 4.2 13.5 1.0 N A:TYR124 4.3 14.1 1.0 CB A:PHE123 4.3 14.5 1.0 N A:PHE123 4.3 11.2 1.0 O A:GLY99 4.4 11.5 1.0 OD1 A:ASP81 4.4 11.5 1.0 NE1 A:TRP128 4.4 4.7 1.0 CD2 A:PHE123 4.5 19.9 1.0 O A:HOH747 4.5 27.7 1.0 C A:TYR124 4.5 16.0 1.0 MN A:MN562 4.5 16.5 1.0 CA A:GLY99 4.5 7.2 1.0 CA A:TYR124 4.6 13.4 1.0 CA A:ASN125 4.6 13.7 1.0 CB A:ASP121 4.7 10.4 1.0 O A:ASP81 4.7 3.7 1.0 CB A:ASP129 4.8 11.7 1.0 CG A:PHE123 4.9 18.5 1.0

Calcium binding site 2 out of 2 in the X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca571 b:6.0 occ:1.00 O C:HOH762 1.6 10.8 1.0 OD1 C:ASN125 1.8 9.1 1.0 O C:HOH763 2.1 8.9 1.0 O C:PHE123 2.2 19.2 1.0 OD1 C:ASP121 2.5 15.0 1.0 OD2 C:ASP129 2.5 9.1 1.0 OD2 C:ASP121 2.7 10.7 1.0 CG C:ASP121 3.0 15.4 1.0 CG C:ASN125 3.1 8.9 1.0 C C:PHE123 3.5 10.3 1.0 CG C:ASP129 3.5 8.4 1.0 OD1 C:ASP129 3.9 8.6 1.0 CB C:ASN125 4.0 9.1 1.0 N C:ASN125 4.1 13.1 1.0 ND2 C:ASN125 4.1 9.4 1.0 OD1 C:ASP81 4.3 5.5 1.0 CA C:PHE123 4.3 9.1 1.0 O C:HOH764 4.3 25.9 1.0 NE1 C:TRP128 4.3 8.0 1.0 N C:PHE123 4.3 10.8 1.0 O C:GLY99 4.3 6.6 1.0 N C:TYR124 4.4 10.6 1.0 CB C:ASP121 4.5 11.0 1.0 MN C:MN572 4.5 17.6 1.0 CB C:PHE123 4.5 8.4 1.0 CA C:TYR124 4.6 11.8 1.0 CA C:ASN125 4.6 14.6 1.0 C C:TYR124 4.7 14.5 1.0 O C:ASP81 4.7 8.0 1.0 CD1 C:PHE123 4.7 11.8 1.0 CA C:GLY99 4.7 3.0 1.0 CB C:ASP129 4.8 11.9 1.0

Y.Bourne, P.Rouge, C.Cambillau. X-Ray Structure of A (Alpha-Man(1-3)Beta-Man(1-4)Glcnac)-Lectin Complex at 2.1-A Resolution. the Role of Water in Sugar-Lectin Interaction. J.Biol.Chem. V. 265 18161 1990.
ISSN: ISSN 0021-9258
PubMed: 2211692