Calcium in PDB 4mye: Cymosema Roseum Seed Lectin Structure Complexed with X-Man

The structure of Cymosema Roseum Seed Lectin Structure Complexed with X-Man, PDB code: 4mye was solved by I.L.Barroso-Neto, B.A.M.Rocha, C.S.Teixeira, M.Q.Santiago, L.A.G.Souza, A.F.Pires, A.M.S.Assreuy, P.Delatorre, Cavada, B.S, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.33 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.365, 88.753, 90.626, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.9

The structure of Cymosema Roseum Seed Lectin Structure Complexed with X-Man also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Manganese	(Mn)	1 atom
Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Calcium atom in the Cymosema Roseum Seed Lectin Structure Complexed with X-Man (pdb code 4mye). 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 Cymosema Roseum Seed Lectin Structure Complexed with X-Man, PDB code: 4mye:

Calcium binding site 1 out of 1 in the Cymosema Roseum Seed Lectin Structure Complexed with X-Man


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cymosema Roseum Seed Lectin Structure Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:16.9 occ:1.00 O A:TYR12 2.3 18.2 1.0 OD1 A:ASN14 2.3 18.7 1.0 OD2 A:ASP19 2.4 18.6 1.0 O A:HOH408 2.5 17.3 1.0 OD2 A:ASP10 2.5 15.8 1.0 O A:HOH440 2.5 16.5 1.0 OD1 A:ASP10 2.5 15.8 1.0 CG A:ASP10 2.8 16.6 1.0 CG A:ASP19 3.5 20.9 1.0 CG A:ASN14 3.5 17.9 1.0 C A:TYR12 3.5 18.1 1.0 OD1 A:ASP19 3.9 16.4 1.0 N A:ASN14 3.9 18.3 1.0 CB A:ASN14 4.0 17.0 1.0 MN A:MN301 4.2 20.1 1.0 CB A:ASP10 4.3 15.1 1.0 CA A:TYR12 4.3 20.2 1.0 N A:TYR12 4.5 17.8 1.0 O A:HOH418 4.5 16.3 1.0 N A:PRO13 4.5 18.9 1.0 CB A:TYR12 4.5 18.0 1.0 CE1 A:HIS24 4.6 15.0 1.0 ND2 A:ASN14 4.6 18.7 1.0 CA A:PRO13 4.6 21.5 1.0 CA A:ASN14 4.6 18.6 1.0 C A:PRO13 4.7 21.3 1.0 O A:ASP208 4.7 17.3 1.0 CB A:ASP19 4.7 20.3 1.0 O A:ARG228 4.8 18.3 1.0 CB A:ARG228 4.8 20.0 1.0 OD1 A:ASP208 4.8 16.9 1.0 CA A:ARG228 4.9 18.9 1.0 NE2 A:HIS24 4.9 15.9 1.0 CD2 A:TYR12 5.0 19.3 1.0

I.L.Barroso-Neto, B.A.M.Rocha, C.S.Teixeira, M.Q.Santiago, L.A.G.Souza, A.F.Pires, A.M.S.Assreuy, P.Delatorre, B.S.Cavada. Cymosema Roseum Seed Lectin Structure Complexed with X-Man To Be Published.