Chlorine in PDB 2je7: Crystal Structure of Recombinant Dioclea Guianensis Lectin S131H Complexed with 5-Bromo-4-Chloro-3-Indolyl-A-D-Mannose

The structure of Crystal Structure of Recombinant Dioclea Guianensis Lectin S131H Complexed with 5-Bromo-4-Chloro-3-Indolyl-A-D-Mannose, PDB code: 2je7 was solved by C.S.Nagano, L.Sanz, B.S.Cavada, J.J.Calvete, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.50 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.661, 88.014, 91.536, 90.00, 90.00, 90.00
R / Rfree (%)	15.4 / 20.1

The structure of Crystal Structure of Recombinant Dioclea Guianensis Lectin S131H Complexed with 5-Bromo-4-Chloro-3-Indolyl-A-D-Mannose also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Manganese	(Mn)	1 atom
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Recombinant Dioclea Guianensis Lectin S131H Complexed with 5-Bromo-4-Chloro-3-Indolyl-A-D-Mannose (pdb code 2je7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Recombinant Dioclea Guianensis Lectin S131H Complexed with 5-Bromo-4-Chloro-3-Indolyl-A-D-Mannose, PDB code: 2je7:

Chlorine binding site 1 out of 1 in the Crystal Structure of Recombinant Dioclea Guianensis Lectin S131H Complexed with 5-Bromo-4-Chloro-3-Indolyl-A-D-Mannose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Recombinant Dioclea Guianensis Lectin S131H Complexed with 5-Bromo-4-Chloro-3-Indolyl-A-D-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1242 b:23.2 occ:1.00 CL A:XMM1242 0.0 23.2 1.0 C10 A:XMM1242 1.7 23.8 1.0 C13 A:XMM1242 2.7 23.7 1.0 C8 A:XMM1242 2.8 23.5 1.0 O1 A:XMM1242 3.2 21.2 1.0 BR A:XMM1242 3.2 29.6 1.0 C7 A:XMM1242 3.3 23.2 1.0 C1 A:XMM1242 3.5 19.4 1.0 C2 A:XMM1242 3.9 18.2 1.0 C14 A:XMM1242 4.0 22.2 1.0 C9 A:XMM1242 4.1 22.7 1.0 O A:HOH2255 4.5 29.2 1.0 C12 A:XMM1242 4.6 23.2 1.0 C11 A:XMM1242 4.6 23.7 1.0 O A:HOH2013 4.7 50.0 1.0 O2 A:XMM1242 4.8 18.6 1.0 O5 A:XMM1242 4.9 18.2 1.0 N1 A:XMM1242 5.0 23.1 1.0

C.S.Nagano, J.J.Calvete, D.Barettino, A.Perez, B.S.Cavada, L.Sanz. Insights Into the Structural Basis of the pH- Dependent Dimer-Tetramer Equilibrium Through Crystallographic Analysis of Recombinant Diocleinae Lectins. Biochem.J. V. 409 417 2008.
ISSN: ISSN 0264-6021
PubMed: 17937659
DOI: 10.1042/BJ20070942