Manganese in PDB 1v00: Erythrina Cristagalli Lectin

The structure of Erythrina Cristagalli Lectin, PDB code: 1v00 was solved by K.Turton, R.Natesh, N.Thiyagarajan, J.A.Chaddock, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.12 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.900, 167.230, 55.130, 90.00, 97.08, 90.00
R / Rfree (%)	17.2 / 19.5

The structure of Erythrina Cristagalli Lectin also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Erythrina Cristagalli Lectin (pdb code 1v00). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Erythrina Cristagalli Lectin, PDB code: 1v00:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Erythrina Cristagalli Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Erythrina Cristagalli Lectin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1241 b:10.2 occ:1.00 OD1 A:ASP129 2.1 11.4 1.0 OE2 A:GLU127 2.2 9.3 1.0 OD1 A:ASP136 2.2 11.1 1.0 O A:HOH2296 2.2 12.2 1.0 O A:HOH2295 2.3 10.6 1.0 NE2 A:HIS142 2.3 8.0 1.0 CG A:ASP129 3.2 12.6 1.0 CG A:ASP136 3.2 11.4 1.0 CD A:GLU127 3.2 11.9 1.0 CE1 A:HIS142 3.2 13.2 1.0 CD2 A:HIS142 3.4 10.8 1.0 CB A:ASP129 3.5 9.7 1.0 OE1 A:GLU127 3.6 11.3 1.0 OD2 A:ASP136 3.7 12.3 1.0 O A:HOH2162 4.0 12.4 1.0 CA A:CA1242 4.2 10.4 1.0 OD2 A:ASP129 4.3 9.5 1.0 CB A:ASP136 4.3 12.1 1.0 O A:HOH2187 4.4 11.6 1.0 ND1 A:HIS142 4.4 10.6 1.0 O A:ILE150 4.5 12.8 1.0 CG A:HIS142 4.5 10.8 1.0 CG A:GLU127 4.5 10.9 1.0 CD A:PRO137 4.6 12.6 1.0 OG A:SER152 4.7 16.6 1.0 CA A:ASP136 4.9 12.3 1.0 NE1 A:TRP135 4.9 14.6 1.0

Manganese binding site 2 out of 4 in the Erythrina Cristagalli Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Erythrina Cristagalli Lectin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1241 b:17.2 occ:1.00 OD2 B:ASP129 2.1 15.9 1.0 O B:HOH2222 2.1 17.4 1.0 OD1 B:ASP136 2.2 17.5 1.0 OE2 B:GLU127 2.2 13.7 1.0 NE2 B:HIS142 2.3 16.1 1.0 O B:HOH2223 2.3 15.6 1.0 CG B:ASP129 3.2 15.7 1.0 CE1 B:HIS142 3.2 17.8 1.0 CG B:ASP136 3.2 18.3 1.0 CD B:GLU127 3.3 15.5 1.0 CD2 B:HIS142 3.4 17.0 1.0 CB B:ASP129 3.5 14.7 1.0 OE1 B:GLU127 3.6 14.5 1.0 OD2 B:ASP136 3.9 17.9 1.0 O B:HOH2118 4.0 19.7 1.0 OG B:SER152 4.1 15.0 1.0 CA B:CA1242 4.3 18.6 1.0 O B:HOH2138 4.3 18.2 1.0 OD1 B:ASP129 4.3 15.9 1.0 CB B:ASP136 4.3 17.7 1.0 ND1 B:HIS142 4.4 17.1 1.0 O B:ILE150 4.5 19.4 1.0 CG B:HIS142 4.5 16.8 1.0 CG B:GLU127 4.6 14.2 1.0 CD B:PRO137 4.6 20.4 1.0 NE1 B:TRP135 4.8 18.1 1.0 CA B:ASP136 4.8 19.3 1.0 CD1 B:TRP135 4.9 19.0 1.0

Manganese binding site 3 out of 4 in the Erythrina Cristagalli Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Erythrina Cristagalli Lectin within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn1241 b:11.2 occ:1.00 OD1 C:ASP136 2.1 12.3 1.0 OD2 C:ASP129 2.1 12.2 1.0 OE2 C:GLU127 2.2 13.0 1.0 O C:HOH2329 2.2 11.5 1.0 O C:HOH2330 2.3 10.0 1.0 NE2 C:HIS142 2.4 11.5 1.0 CG C:ASP136 3.2 15.6 1.0 CG C:ASP129 3.2 13.3 1.0 CD C:GLU127 3.2 12.4 1.0 CE1 C:HIS142 3.2 11.9 1.0 CD2 C:HIS142 3.4 11.5 1.0 CB C:ASP129 3.5 12.1 1.0 OE1 C:GLU127 3.5 11.4 1.0 OD2 C:ASP136 3.7 15.1 1.0 O C:HOH2196 4.0 12.3 1.0 OG C:SER152 4.2 13.4 1.0 CA C:CA1242 4.2 11.0 1.0 CB C:ASP136 4.3 13.7 1.0 OD1 C:ASP129 4.3 10.6 1.0 O C:HOH2228 4.4 13.5 1.0 ND1 C:HIS142 4.4 11.6 1.0 O C:ILE150 4.4 14.8 1.0 CG C:HIS142 4.5 10.1 1.0 CG C:GLU127 4.6 10.6 1.0 CD C:PRO137 4.7 15.7 1.0 NE1 C:TRP135 4.8 13.9 1.0 CA C:ASP136 4.9 14.1 1.0 CD1 C:TRP135 5.0 13.4 1.0

Manganese binding site 4 out of 4 in the Erythrina Cristagalli Lectin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Erythrina Cristagalli Lectin within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn1241 b:12.3 occ:1.00 OD2 D:ASP129 2.1 12.8 1.0 OD1 D:ASP136 2.2 14.1 1.0 O D:HOH2270 2.2 12.2 1.0 OE2 D:GLU127 2.2 13.7 1.0 O D:HOH2269 2.3 13.8 1.0 NE2 D:HIS142 2.3 11.6 1.0 CE1 D:HIS142 3.2 13.0 1.0 CG D:ASP129 3.2 11.9 1.0 CG D:ASP136 3.2 13.9 1.0 CD D:GLU127 3.2 15.2 1.0 CD2 D:HIS142 3.4 11.3 1.0 CB D:ASP129 3.5 11.2 1.0 OE1 D:GLU127 3.6 13.3 1.0 OD2 D:ASP136 3.7 15.8 1.0 O D:HOH2149 4.0 15.4 1.0 CA D:CA1242 4.1 12.8 1.0 OG D:SER152 4.2 14.0 1.0 CB D:ASP136 4.3 13.8 1.0 OD1 D:ASP129 4.3 12.5 1.0 ND1 D:HIS142 4.3 12.1 1.0 O D:HOH2169 4.4 16.4 1.0 CG D:HIS142 4.5 11.8 1.0 CG D:GLU127 4.5 11.9 1.0 O D:ILE150 4.5 17.1 1.0 CD D:PRO137 4.7 14.2 1.0 NE1 D:TRP135 4.8 16.3 1.0 CA D:ASP136 4.9 14.6 1.0 CD1 D:TRP135 4.9 15.9 1.0

K.Turton, R.Natesh, N.Thiyagarajan, J.A.Chaddock, K.R.Acharya. Crystal Structures of Erythrina Cristagalli Lectin with Bound N-Linked Oligosaccharide and Lactose Glycobiology V. 14 923 2004.
ISSN: ISSN 0959-6658
PubMed: 15201215
DOI: 10.1093/GLYCOB/CWH114