Calcium in PDB 6aq5: X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose

The structure of X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose, PDB code: 6aq5 was solved by O.Gerlits, R.J.Woods, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.17 / 2.19
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	134.950, 134.950, 81.794, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 20.8

The structure of X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose (pdb code 6aq5). 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 Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose, PDB code: 6aq5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca310 b:22.4 occ:1.00 OD2 A:ASP136 2.3 21.2 1.0 ND2 A:ASN133 2.3 21.7 1.0 O A:PHE131 2.3 19.3 1.0 O A:HOH427 2.4 20.8 1.0 OD2 A:ASP129 2.4 24.4 1.0 O A:HOH409 2.4 17.8 1.0 OD1 A:ASP129 2.5 20.9 1.0 CG A:ASP129 2.8 26.1 1.0 CG A:ASP136 3.4 21.2 1.0 CG A:ASN133 3.5 24.3 1.0 C A:PHE131 3.5 22.4 1.0 OD1 A:ASP136 3.8 26.0 1.0 N A:ASN133 3.9 23.9 1.0 CB A:ASN133 4.0 22.4 1.0 MN A:MN309 4.2 26.5 1.0 CB A:ASP129 4.3 22.6 1.0 N A:PHE131 4.4 20.1 1.0 CA A:PHE131 4.4 20.3 1.0 O A:HOH413 4.4 21.7 1.0 CA A:GLY107 4.5 20.5 1.0 O A:GLY107 4.5 22.4 1.0 N A:SER132 4.5 18.8 1.0 OD1 A:ASN133 4.6 24.9 1.0 NE1 A:TRP135 4.6 22.6 1.0 CB A:PHE131 4.6 20.4 1.0 CB A:ASP136 4.6 24.4 1.0 CA A:ASN133 4.6 24.9 1.0 CA A:SER132 4.6 20.8 1.0 O A:ASP89 4.6 22.3 1.0 OD2 A:ASP89 4.6 17.9 1.0 C A:SER132 4.7 26.4 1.0 CD2 A:PHE131 4.8 24.2 1.0

Calcium binding site 2 out of 2 in the X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca305 b:18.2 occ:1.00 O B:PHE131 2.2 18.1 1.0 OD2 B:ASP136 2.3 17.8 1.0 ND2 B:ASN133 2.4 16.3 1.0 O B:HOH431 2.4 17.1 1.0 OD2 B:ASP129 2.4 21.0 1.0 O B:HOH447 2.4 19.2 1.0 OD1 B:ASP129 2.5 19.6 1.0 CG B:ASP129 2.8 17.9 1.0 CG B:ASP136 3.4 19.8 1.0 C B:PHE131 3.5 17.6 1.0 CG B:ASN133 3.6 20.3 1.0 N B:ASN133 3.9 20.9 1.0 OD1 B:ASP136 3.9 20.4 1.0 CB B:ASN133 4.1 17.5 1.0 MN B:MN304 4.2 25.7 1.0 CA B:PHE131 4.3 20.1 1.0 N B:PHE131 4.3 18.3 1.0 CB B:ASP129 4.3 17.6 1.0 N B:SER132 4.4 17.6 1.0 NE1 B:TRP135 4.5 21.4 1.0 CB B:PHE131 4.5 19.4 1.0 O B:GLY107 4.5 22.2 1.0 CA B:GLY107 4.5 19.1 1.0 CA B:SER132 4.5 19.1 1.0 OD1 B:ASN133 4.6 23.3 1.0 O B:ASP89 4.6 21.3 1.0 CB B:ASP136 4.6 18.4 1.0 OD2 B:ASP89 4.6 21.5 1.0 C B:SER132 4.6 21.0 1.0 CA B:ASN133 4.7 21.5 1.0 O B:HOH406 4.7 18.2 1.0 CD2 B:PHE131 4.7 18.4 1.0 CZ2 B:TRP135 4.9 24.2 1.0 CE2 B:TRP135 5.0 22.4 1.0

O.Gerlits, R.J.Woods, A.Sood. X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose To Be Published.