Calcium in PDB 3n3h: Erythrina Corallodendron Lectin Mutant (Y106G) in Complex with Citrate

The structure of Erythrina Corallodendron Lectin Mutant (Y106G) in Complex with Citrate, PDB code: 3n3h was solved by S.Thamotharan, T.Karthikeyan, K.A.Kulkarni, K.N.Shetty, A.Surolia, M.Vijayan, K.Suguna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.67 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.784, 102.784, 56.975, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 20.2

The structure of Erythrina Corallodendron Lectin Mutant (Y106G) in Complex with Citrate also contains other interesting chemical elements:

Manganese

(Mn)

1 atom

The binding sites of Calcium atom in the Erythrina Corallodendron Lectin Mutant (Y106G) in Complex with Citrate (pdb code 3n3h). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Erythrina Corallodendron Lectin Mutant (Y106G) in Complex with Citrate, PDB code: 3n3h:

Calcium binding site 1 out of 1 in the Erythrina Corallodendron Lectin Mutant (Y106G) in Complex with Citrate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Erythrina Corallodendron Lectin Mutant (Y106G) in Complex with Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca290 b:16.0 occ:1.00 OD2 A:ASP136 2.4 16.6 1.0 O A:PHE131 2.5 17.0 1.0 O A:HOH245 2.5 16.2 1.0 OD1 A:ASN133 2.5 19.3 1.0 O A:HOH246 2.5 14.9 1.0 OD1 A:ASP129 2.5 15.0 1.0 OD2 A:ASP129 2.6 12.7 1.0 CG A:ASP129 2.9 16.7 1.0 CG A:ASP136 3.5 18.6 1.0 C A:PHE131 3.6 18.3 1.0 CG A:ASN133 3.7 22.1 1.0 N A:ASN133 4.0 17.1 1.0 OD1 A:ASP136 4.0 16.2 1.0 CB A:ASN133 4.2 18.6 1.0 MN A:MN289 4.3 18.3 1.0 O A:ASP89 4.4 17.7 1.0 CB A:ASP129 4.4 15.8 1.0 N A:PHE131 4.4 14.4 1.0 CA A:PHE131 4.5 17.3 1.0 O A:HOH243 4.5 14.0 1.0 NE1 A:TRP135 4.5 21.6 1.0 O A:GLY107 4.6 18.6 1.0 CB A:PHE131 4.6 16.6 1.0 N A:SER132 4.6 16.6 1.0 CA A:SER132 4.7 17.4 1.0 OD1 A:ASP89 4.7 16.7 1.0 CA A:ASN133 4.7 19.8 1.0 CB A:ASP136 4.7 16.1 1.0 CA A:GLY107 4.7 17.7 1.0 C A:SER132 4.8 19.4 1.0 ND2 A:ASN133 4.8 20.2 1.0 CD2 A:PHE131 4.8 18.3 1.0 CZ2 A:TRP135 5.0 21.4 1.0

S.Thamotharan, T.Karthikeyan, K.A.Kulkarni, K.N.Shetty, A.Surolia, M.Vijayan, K.Suguna. Modification of the Sugar Specificity of A Plant Lectin: Structural Studies on A Point Mutant of Erythrina Corallodendron Lectin. Acta Crystallogr.,Sect.D V. 67 218 2011.
ISSN: ISSN 0907-4449
PubMed: 21358053
DOI: 10.1107/S0907444911004525