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

Protein crystallography data

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

Other elements in 2je7:

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:

Manganese (Mn) 1 atom
Chlorine (Cl) 1 atom
Calcium (Ca) 1 atom

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine 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:

Bromine binding site 1 out of 1 in 2je7

Go back to Bromine Binding Sites List in 2je7
Bromine 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 Bromine with other atoms in the Br 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:Br1242

b:29.6
occ:1.00
BR A:XMM1242 0.0 29.6 1.0
C13 A:XMM1242 1.9 23.7 1.0
C10 A:XMM1242 2.9 23.8 1.0
C14 A:XMM1242 2.9 22.2 1.0
CL A:XMM1242 3.2 23.2 1.0
C8 A:XMM1242 4.2 23.5 1.0
C12 A:XMM1242 4.2 23.2 1.0
C9 A:XMM1242 4.7 22.7 1.0

Reference:

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
Page generated: Sat Dec 12 02:06:45 2020

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