Manganese 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:

Calcium	(Ca)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Crystal Structure of Erythrina Crista-Galli Lectin in Complex with Epilactose, PDB code: 6aq5:
Jump to Manganese binding site number: 1; 2;

Manganese 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 Manganese with other atoms in the Mn 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:Mn309 b:26.5 occ:1.00 OE2 A:GLU127 2.1 22.6 1.0 OD1 A:ASP136 2.2 26.0 1.0 O A:HOH406 2.2 24.9 1.0 OD2 A:ASP129 2.2 24.4 1.0 NE2 A:HIS142 2.3 21.5 1.0 O A:HOH413 2.3 21.7 1.0 CG A:ASP136 3.2 21.2 1.0 CE1 A:HIS142 3.2 25.3 1.0 CD A:GLU127 3.2 24.4 1.0 CG A:ASP129 3.2 26.1 1.0 CD2 A:HIS142 3.4 24.2 1.0 CB A:ASP129 3.6 22.6 1.0 OE1 A:GLU127 3.6 25.1 1.0 OD2 A:ASP136 3.7 21.2 1.0 OG A:SER152 4.2 27.4 1.0 O A:HOH409 4.2 17.8 1.0 CA A:CA310 4.2 22.4 1.0 CB A:ASP136 4.3 24.4 1.0 O A:HOH423 4.3 26.2 1.0 ND1 A:HIS142 4.4 25.3 1.0 OD1 A:ASP129 4.4 20.9 1.0 O A:ILE150 4.5 28.1 1.0 CG A:HIS142 4.5 23.7 1.0 CG A:GLU127 4.5 21.7 1.0 CD A:PRO137 4.7 29.5 1.0 CA A:ASP136 4.7 27.4 1.0

Manganese 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 Manganese with other atoms in the Mn 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:Mn304 b:25.7 occ:1.00 OD1 B:ASP136 2.1 20.4 1.0 OE2 B:GLU127 2.2 23.4 1.0 OD2 B:ASP129 2.3 21.0 1.0 NE2 B:HIS142 2.4 18.8 1.0 O B:HOH406 2.5 18.2 1.0 O B:HOH405 2.5 23.3 1.0 CG B:ASP136 3.0 19.8 1.0 CD B:GLU127 3.2 23.2 1.0 CG B:ASP129 3.3 17.9 1.0 CE1 B:HIS142 3.3 21.8 1.0 CD2 B:HIS142 3.5 21.9 1.0 OD2 B:ASP136 3.5 17.8 1.0 OE1 B:GLU127 3.6 21.9 1.0 CB B:ASP129 3.6 17.6 1.0 O B:HOH447 3.9 19.2 1.0 CA B:CA305 4.2 18.2 1.0 CB B:ASP136 4.2 18.4 1.0 OG B:SER152 4.3 21.3 1.0 O B:HOH445 4.3 21.5 1.0 OD1 B:ASP129 4.4 19.6 1.0 ND1 B:HIS142 4.5 19.9 1.0 CG B:GLU127 4.5 21.7 1.0 O B:ILE150 4.6 22.0 1.0 CG B:HIS142 4.6 23.1 1.0 CD B:PRO137 4.7 22.7 1.0 CA B:ASP136 4.7 21.3 1.0 NE1 B:TRP135 4.8 21.4 1.0 CD1 B:TRP135 4.9 22.1 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.