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

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Canavalia Grandiflora Seed Lectin Complexed with X-Man., PDB code: 4l8q:

Bromine 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 Bromine with other atoms in the Br 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:Br303 b:36.5 occ:1.00 BR A:XMM303 0.0 36.5 1.0 C13 A:XMM303 1.9 30.1 1.0 C10 A:XMM303 2.8 27.7 1.0 C14 A:XMM303 2.8 27.8 1.0 CL A:XMM303 3.2 32.2 1.0 C8 A:XMM303 4.1 26.6 1.0 C12 A:XMM303 4.1 25.4 1.0 C9 A:XMM303 4.6 25.2 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