Chlorine in PDB 3u4x: Crystal Structure of A Lectin From Camptosema Pedicellatum Seeds in Complex with 5-Bromo-4-Chloro-3-Indolyl-Alpha-D-Mannose

The structure of Crystal Structure of A Lectin From Camptosema Pedicellatum Seeds in Complex with 5-Bromo-4-Chloro-3-Indolyl-Alpha-D-Mannose, PDB code: 3u4x was solved by B.A.M.Rocha, C.S.Teixeira, T.R.Moura, H.C.Silva, F.N.Pereira-Junior, C.S.Nagano, P.Delatorre, B.S.Cavada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.51 / 2.16
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	65.940, 66.780, 107.700, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 23.7

The structure of Crystal Structure of A Lectin From Camptosema Pedicellatum Seeds in Complex with 5-Bromo-4-Chloro-3-Indolyl-Alpha-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 A Lectin From Camptosema Pedicellatum Seeds in Complex with 5-Bromo-4-Chloro-3-Indolyl-Alpha-D-Mannose (pdb code 3u4x). 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 A Lectin From Camptosema Pedicellatum Seeds in Complex with 5-Bromo-4-Chloro-3-Indolyl-Alpha-D-Mannose, PDB code: 3u4x:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Lectin From Camptosema Pedicellatum Seeds in Complex with 5-Bromo-4-Chloro-3-Indolyl-Alpha-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 A Lectin From Camptosema Pedicellatum Seeds in Complex with 5-Bromo-4-Chloro-3-Indolyl-Alpha-D-Mannose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl239 b:21.6 occ:1.00 CL A:XMM239 0.0 21.6 1.0 C10 A:XMM239 1.8 19.6 1.0 C13 A:XMM239 2.8 20.7 1.0 C8 A:XMM239 2.8 18.6 1.0 BR A:XMM239 3.1 24.5 1.0 O1 A:XMM239 3.2 18.4 1.0 C7 A:XMM239 3.4 18.5 1.0 C1 A:XMM239 3.5 15.5 1.0 C2 A:XMM239 4.0 15.7 1.0 C14 A:XMM239 4.1 20.6 1.0 C9 A:XMM239 4.1 16.9 1.0 CG2 A:VAL99 4.3 15.1 1.0 O A:HOH263 4.5 28.4 1.0 C12 A:XMM239 4.6 16.5 1.0 C11 A:XMM239 4.7 14.7 1.0 O2 A:XMM239 4.8 16.0 1.0 O5 A:XMM239 4.9 15.7 1.0

C.Souza Teixeira, H.Colares Da Silva, T.Rocha De Moura, F.N.Pereira-Junior, K.Santiago Do Nascimento, C.Shiniti Nagano, A.Holanda Sampaio, P.Delatorre, B.A.Matias Rocha, B.Sousa Cavada. Crystal Structure of the Lectin of Camptosema Pedicellatum: Implications of A Conservative Substitution at the Hydrophobic Subsite. J.Biochem. V. 152 87 2012.
ISSN: ISSN 0021-924X
PubMed: 22554687
DOI: 10.1093/JB/MVS047