Calcium in PDB 2eig: Lotus Tetragonolobus Seed Lectin (Isoform)

The structure of Lotus Tetragonolobus Seed Lectin (Isoform), PDB code: 2eig was solved by F.B.M.B.Moreno, M.M.Vicoti, J.R.B.Abrego, T.M.De Oliveira, G.A.Bezerra, B.S.Cavada, W.Filgueira De Azevedo Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.46 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.892, 65.835, 102.537, 90.00, 92.00, 90.00
R / Rfree (%)	18.8 / 25.1

The structure of Lotus Tetragonolobus Seed Lectin (Isoform) also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Calcium atom in the Lotus Tetragonolobus Seed Lectin (Isoform) (pdb code 2eig). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Lotus Tetragonolobus Seed Lectin (Isoform), PDB code: 2eig:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Lotus Tetragonolobus Seed Lectin (Isoform)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Lotus Tetragonolobus Seed Lectin (Isoform) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1102 b:19.2 occ:1.00 OD1 A:ASN124 2.2 18.1 1.0 O A:HOH1127 2.3 12.1 1.0 O A:HOH1129 2.3 19.4 1.0 O A:HIS122 2.4 20.1 1.0 OD2 A:ASP127 2.4 20.9 1.0 OD1 A:ASP120 2.5 19.8 1.0 OD2 A:ASP120 2.5 18.5 1.0 CG A:ASP120 2.8 16.0 1.0 CG A:ASN124 3.3 20.8 1.0 CG A:ASP127 3.4 17.9 1.0 C A:HIS122 3.6 21.6 1.0 OD1 A:ASP127 3.8 12.6 1.0 CB A:ASN124 3.9 20.6 1.0 N A:ASN124 3.9 22.8 1.0 MN A:MN1101 4.1 18.9 1.0 CB A:ASP120 4.3 16.7 1.0 O A:GLY100 4.4 14.8 1.0 NE1 A:TRP126 4.4 16.8 1.0 CA A:HIS122 4.4 20.5 1.0 OD1 A:ASP80 4.4 19.1 1.0 ND2 A:ASN124 4.4 17.4 1.0 O A:HOH1119 4.5 20.5 1.0 CA A:GLY100 4.5 15.9 1.0 N A:HIS122 4.5 19.9 1.0 CB A:HIS122 4.5 21.2 1.0 CE1 A:HIS135 4.6 12.0 1.0 CA A:ASN124 4.6 21.8 1.0 N A:PRO123 4.6 22.2 1.0 O A:ASP80 4.6 17.0 1.0 C A:PRO123 4.7 22.9 1.0 CA A:PRO123 4.7 22.7 1.0 CB A:ASP127 4.7 20.4 1.0 CD2 A:HIS122 4.8 23.6 1.0 NE2 A:HIS135 4.9 12.5 1.0 CE2 A:TRP126 4.9 15.6 1.0 CZ2 A:TRP126 4.9 19.1 1.0 C A:GLY100 5.0 16.1 1.0 CG A:HIS122 5.0 23.7 1.0

Calcium binding site 2 out of 4 in the Lotus Tetragonolobus Seed Lectin (Isoform)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Lotus Tetragonolobus Seed Lectin (Isoform) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1202 b:14.0 occ:1.00 OD2 B:ASP127 2.3 13.7 1.0 OD1 B:ASN124 2.3 14.6 1.0 O B:HIS122 2.3 14.6 1.0 O B:HOH3025 2.3 13.6 1.0 OD1 B:ASP120 2.5 12.7 1.0 OD2 B:ASP120 2.5 11.9 1.0 O B:HOH3047 2.5 13.1 1.0 CG B:ASP120 2.9 12.2 1.0 CG B:ASP127 3.3 16.2 1.0 CG B:ASN124 3.4 14.0 1.0 C B:HIS122 3.5 15.9 1.0 OD1 B:ASP127 3.8 11.8 1.0 N B:ASN124 3.8 16.4 1.0 CB B:ASN124 3.9 15.4 1.0 MN B:MN1201 4.1 17.8 1.0 CA B:HIS122 4.3 15.6 1.0 N B:HIS122 4.4 16.4 1.0 CB B:ASP120 4.4 13.6 1.0 O B:GLY100 4.4 12.3 1.0 CB B:HIS122 4.5 15.3 1.0 OD1 B:ASP80 4.5 14.8 1.0 N B:PRO123 4.5 15.8 1.0 O B:HOH3036 4.5 15.1 1.0 ND2 B:ASN124 4.5 13.6 1.0 CA B:ASN124 4.5 15.5 1.0 CA B:GLY100 4.5 12.1 1.0 CA B:PRO123 4.5 16.8 1.0 NE1 B:TRP126 4.5 12.4 1.0 CE1 B:HIS135 4.6 4.5 1.0 O B:ASP80 4.6 15.1 1.0 C B:PRO123 4.6 17.0 1.0 CB B:ASP127 4.7 16.6 1.0 NE2 B:HIS135 4.8 4.3 1.0 C B:GLY100 5.0 13.2 1.0

Calcium binding site 3 out of 4 in the Lotus Tetragonolobus Seed Lectin (Isoform)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Lotus Tetragonolobus Seed Lectin (Isoform) within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1302 b:18.3 occ:1.00 O C:HIS122 2.3 18.6 1.0 OD2 C:ASP127 2.3 15.4 1.0 OD1 C:ASN124 2.4 17.8 1.0 OD1 C:ASP120 2.4 11.7 1.0 O C:HOH2022 2.5 12.4 1.0 O C:HOH2014 2.5 14.2 1.0 OD2 C:ASP120 2.6 17.9 1.0 CG C:ASP120 2.8 15.4 1.0 CG C:ASP127 3.4 16.7 1.0 CG C:ASN124 3.5 21.6 1.0 C C:HIS122 3.5 18.8 1.0 OD1 C:ASP127 3.8 17.2 1.0 N C:ASN124 3.8 21.1 1.0 CB C:ASN124 4.0 19.1 1.0 MN C:MN1301 4.1 20.2 1.0 N C:HIS122 4.3 18.7 1.0 CA C:HIS122 4.3 18.0 1.0 CB C:ASP120 4.4 16.6 1.0 N C:PRO123 4.4 19.4 1.0 CA C:PRO123 4.5 20.4 1.0 OD1 C:ASP80 4.5 15.3 1.0 O C:GLY100 4.5 18.6 1.0 NE1 C:TRP126 4.5 22.5 1.0 C C:PRO123 4.5 20.5 1.0 CA C:ASN124 4.6 21.0 1.0 CB C:HIS122 4.6 17.5 1.0 O C:ASP80 4.6 15.1 1.0 CE1 C:HIS135 4.6 13.6 1.0 CA C:GLY100 4.6 18.8 1.0 ND2 C:ASN124 4.6 17.8 1.0 O C:HOH2029 4.6 16.4 1.0 CB C:ASP127 4.7 19.0 1.0 CD2 C:HIS122 4.8 16.9 1.0 NE2 C:HIS135 4.8 11.5 1.0

Calcium binding site 4 out of 4 in the Lotus Tetragonolobus Seed Lectin (Isoform)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Lotus Tetragonolobus Seed Lectin (Isoform) within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca1402 b:21.7 occ:1.00 O D:HOH1412 2.3 15.6 1.0 O D:HIS122 2.3 19.1 1.0 OD2 D:ASP120 2.4 18.7 1.0 OD2 D:ASP127 2.4 16.5 1.0 OD1 D:ASN124 2.4 20.1 1.0 O D:HOH1439 2.5 21.2 1.0 OD1 D:ASP120 2.6 14.1 1.0 CG D:ASP120 2.9 14.0 1.0 CG D:ASN124 3.5 20.6 1.0 CG D:ASP127 3.5 20.2 1.0 C D:HIS122 3.5 19.9 1.0 OD1 D:ASP127 3.8 19.1 1.0 N D:ASN124 3.9 22.5 1.0 CB D:ASN124 3.9 22.9 1.0 MN D:MN1401 4.2 20.4 1.0 O D:ASP80 4.3 23.9 1.0 CA D:HIS122 4.3 19.1 1.0 CB D:ASP120 4.4 16.3 1.0 N D:HIS122 4.4 17.6 1.0 CA D:GLY100 4.4 20.2 1.0 OD1 D:ASP80 4.5 20.0 1.0 CB D:HIS122 4.5 18.8 1.0 CA D:ASN124 4.5 22.7 1.0 O D:GLY100 4.5 19.9 1.0 N D:PRO123 4.6 20.6 1.0 NE1 D:TRP126 4.6 21.7 1.0 C D:PRO123 4.6 22.6 1.0 ND2 D:ASN124 4.7 18.4 1.0 CE1 D:HIS135 4.7 17.4 1.0 CA D:PRO123 4.7 21.8 1.0 ND1 D:HIS122 4.7 26.6 1.0 O D:HOH1419 4.8 18.9 1.0 CB D:ASP127 4.8 20.4 1.0 NE2 D:HIS135 4.9 18.8 1.0 C D:GLY100 5.0 19.1 1.0

F.B.M.B.Moreno, T.M.De Oliveira, D.E.Martil, M.M.Vicoti, G.A.Bezerra, J.R.B.Abrego, B.S.Cavada, W.Filgueira De Azevedo Jr.. Identification of A New Quaternary Association For Legume Lectins J.Struct.Biol. V. 161 133 2008.
ISSN: ISSN 1047-8477
PubMed: 18068379
DOI: 10.1016/J.JSB.2007.10.002