Cadmium 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
Bromine	(Br)	1 atom
Calcium	(Ca)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Cadmium 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 Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man., PDB code: 4l8q:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd 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:Cd305 b:82.4 occ:1.00 O A:HOH456 2.3 50.3 1.0 OE2 A:GLU183 2.3 64.8 1.0 O A:HOH421 2.3 36.0 1.0 OE1 A:GLU183 2.5 65.2 1.0 OE1 A:GLU87 2.6 40.6 1.0 OE2 A:GLU87 2.7 44.0 1.0 CD A:GLU183 2.7 60.2 1.0 CD A:GLU87 3.0 38.6 1.0 CG A:GLU183 4.2 53.9 1.0 NE2 A:HIS180 4.2 28.6 1.0 CG A:GLU87 4.5 37.2 1.0 CE1 A:HIS180 4.7 28.3 1.0 O A:HOH424 4.9 42.7 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man.


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd306 b:39.8 occ:1.00 OD1 A:ASP82 2.3 24.9 1.0 OD2 A:ASP82 2.4 24.4 1.0 CG A:ASP82 2.6 27.0 1.0 OD1 A:ASP80 2.6 28.5 1.0 OD2 A:ASP80 3.0 30.7 1.0 CG A:ASP80 3.2 27.6 1.0 NZ A:LYS59 3.3 39.7 1.0 CB A:ASP82 4.0 26.7 1.0 O2 A:GOL307 4.0 47.0 1.0 O A:HOH422 4.1 31.8 1.0 C2 A:GOL307 4.5 47.5 1.0 OD1 A:ASN83 4.5 30.9 1.0 CB A:ASP80 4.6 26.5 1.0 O A:SER56 4.6 24.9 1.0 O A:HOH412 4.6 29.6 1.0 CE A:LYS59 4.7 34.1 1.0 ND2 A:ASN83 5.0 27.8 1.0 CG A:ASN83 5.0 29.6 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