Bromine in PDB 8ux7: Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man

The structure of Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man, PDB code: 8ux7 was solved by M.V.Oliveira, G.De Sloover, V.J.S.Osterne, V.R.Pinto-Junior, J.C.Sacramento-Neto, E.J.M.Van Damme, K.S.Nascimento, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.66 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.35, 109.414, 126.364, 90, 90, 90
R / Rfree (%)	20.1 / 24.8

The structure of Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man also contains other interesting chemical elements:

Potassium	(K)	1 atom
Chlorine	(Cl)	2 atoms
Manganese	(Mn)	2 atoms
Calcium	(Ca)	2 atoms

The binding sites of Bromine atom in the Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man (pdb code 8ux7). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man, PDB code: 8ux7:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Dioclea Megacarpa Lectin (Dmega) 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 Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ A:Br303 b:75.5 occ:1.00 BR A:XMM303 0.0 75.5 1.0 C13 A:XMM303 1.9 76.2 1.0 C10 A:XMM303 2.8 56.9 1.0 C14 A:XMM303 2.9 65.4 1.0 CL A:XMM303 3.1 54.1 1.0 C8 A:XMM303 4.1 63.1 1.0 C12 A:XMM303 4.1 70.5 1.0 C9 A:XMM303 4.6 68.8 1.0

Bromine binding site 2 out of 2 in the Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man within 5.0Å range: probe atom residue distance (Å) B Occ B:Br303 b:84.7 occ:1.00 BR B:XMM303 0.0 84.7 1.0 C13 B:XMM303 1.9 91.7 1.0 C10 B:XMM303 2.8 75.4 1.0 C14 B:XMM303 2.9 79.8 1.0 CL B:XMM303 3.1 69.8 1.0 C8 B:XMM303 4.1 77.7 1.0 C12 B:XMM303 4.2 76.9 1.0 C9 B:XMM303 4.6 82.3 1.0

M.V.Oliveira, G.De Sloover, V.J.S.Osterne, V.R.Pinto-Junior, J.C.Sacramento-Neto, E.J.M.Van Damme, K.S.Nascimento, B.S.Cavada. Dioclea Megacarpa Lectin (Dmega) Complexed with X-Man To Be Published.