Calcium in PDB 4not: Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man

The structure of Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man, PDB code: 4not was solved by I.L.Barroso-Neto, C.S.Teixeira, J.L.A.Correia, M.Q.Santiago, V.R.Pinto-Junior, V.J.S.Osterne, D.Plinio, B.A.M.Rocha, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.41 / 2.35
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.940, 66.610, 108.650, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 25.7

The structure of Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man also contains other interesting chemical elements:

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

The binding sites of Calcium atom in the Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man (pdb code 4not). 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 Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man, PDB code: 4not:

Calcium binding site 1 out of 1 in the Crystal Structure of Dioclea Sclerocarpa Lectin 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 Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:30.0 occ:1.00 O A:HOH406 2.3 30.0 1.0 OD1 A:ASP19 2.3 26.1 1.0 OD1 A:ASN14 2.4 19.7 1.0 OD2 A:ASP10 2.6 19.3 1.0 O A:TYR12 2.7 21.8 1.0 O A:HOH407 2.7 30.0 1.0 OD1 A:ASP10 3.0 19.6 1.0 CG A:ASP10 3.1 19.7 1.0 CG A:ASP19 3.4 21.9 1.0 CG A:ASN14 3.5 24.5 1.0 OD2 A:ASP19 3.7 19.5 1.0 C A:TYR12 3.9 25.2 1.0 N A:ASN14 3.9 24.6 1.0 CB A:ASN14 4.1 23.4 1.0 MN A:MN301 4.2 30.0 1.0 O A:ARG228 4.5 18.6 1.0 CB A:ARG228 4.5 23.4 1.0 CB A:ASP10 4.6 22.6 1.0 ND2 A:ASN14 4.6 24.1 1.0 CA A:ARG228 4.6 21.7 1.0 CA A:TYR12 4.6 26.5 1.0 OD1 A:ASP208 4.6 19.1 1.0 CA A:ASN14 4.6 25.6 1.0 CB A:ASP19 4.7 25.4 1.0 N A:TYR12 4.7 25.1 1.0 C A:PRO13 4.7 24.2 1.0 CA A:PRO13 4.7 23.8 1.0 O A:HOH404 4.7 30.0 1.0 CD2 A:TYR12 4.8 23.9 1.0 CB A:TYR12 4.8 25.8 1.0 N A:PRO13 4.9 23.9 1.0 O A:ASP208 4.9 19.5 1.0

I.L.Barroso-Neto, C.S.Teixeira, J.L.A.Correia, M.Q.Santiago, V.R.Pinto-Junior, V.J.S.Osterne, D.Plinio, B.A.M.Rocha, B.S.Cavada. Crystal Structure of Dioclea Sclerocarpa Lectin Complexed with X-Man To Be Published.