Calcium in PDB 4l8q: Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man.

The structure of Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man., PDB code: 4l8q was solved by I.L.Barroso-Neto, B.A.M.Rocha, R.C.Simoes, M.J.B.Bezerra, F.N.Pereira-Junior, V.J.S.Osterne, K.S.Nascimento, C.S.Nagano, P.Delatorre, A.H.Sampaio, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.29 / 2.30
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	63.422, 65.152, 106.708, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.7

The structure of Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man. also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Cadmium	(Cd)	2 atoms
Bromine	(Br)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man. (pdb code 4l8q). 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 Canavalia Grandiflora Seed Lectin Complexed with X-Man., PDB code: 4l8q:

Calcium binding site 1 out of 1 in the Crystal Structure of Canavalia Grandiflora Seed 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 Canavalia Grandiflora Seed Lectin Complexed with X-Man. within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:29.4 occ:1.00 OD1 A:ASN14 2.2 43.5 1.0 O A:HOH410 2.2 29.4 1.0 O A:TYR12 2.3 32.3 1.0 OD2 A:ASP10 2.3 29.6 1.0 OD2 A:ASP19 2.4 39.0 1.0 O A:HOH423 2.4 24.3 1.0 OD1 A:ASP10 2.5 34.7 1.0 CG A:ASP10 2.8 31.0 1.0 CG A:ASN14 3.3 42.8 1.0 CG A:ASP19 3.5 40.1 1.0 C A:TYR12 3.5 36.0 1.0 N A:ASN14 3.8 39.4 1.0 OD1 A:ASP19 4.0 40.9 1.0 CB A:ASN14 4.1 39.7 1.0 MN A:MN302 4.1 34.4 1.0 ND2 A:ASN14 4.2 38.6 1.0 CB A:ASP10 4.3 33.0 1.0 OD2 A:ASP208 4.3 31.4 1.0 O A:ARG228 4.4 27.0 1.0 CA A:TYR12 4.4 34.7 1.0 CE1 A:HIS24 4.4 28.0 1.0 CB A:ARG228 4.5 34.5 1.0 N A:TYR12 4.5 32.6 1.0 O A:HOH478 4.5 34.3 1.0 O A:ASP208 4.5 31.5 1.0 N A:PRO13 4.5 38.5 1.0 CA A:ARG228 4.5 31.4 1.0 CA A:ASN14 4.6 42.2 1.0 CB A:TYR12 4.6 36.8 1.0 C A:PRO13 4.6 41.0 1.0 CA A:PRO13 4.6 39.4 1.0 CB A:ASP19 4.7 43.0 1.0 CD2 A:TYR12 4.8 44.5 1.0 NE2 A:HIS24 4.8 29.4 1.0 C A:ARG228 5.0 31.1 1.0

I.L.Barroso-Neto, R.C.Simoes, B.A.Rocha, M.J.Bezerra, F.N.Pereira-Junior, V.J.Silva Osterne, K.S.Nascimento, C.S.Nagano, P.Delatorre, M.G.Pereira, A.Freitas Pires, A.H.Sampaio, A.M.Assreuy, B.S.Cavada. Vasorelaxant Activity of Canavalia Grandiflora Seed Lectin: A Structural Analysis. Arch.Biochem.Biophys. V. 543 31 2014.
ISSN: ISSN 0003-9861
PubMed: 24361256
DOI: 10.1016/J.ABB.2013.12.006