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Bromine in PDB 4fpy: Crystal Structure of the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 2-[(3-Bromobenzyl)Ammonio]Ethanesulfonate

Enzymatic activity of Crystal Structure of the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 2-[(3-Bromobenzyl)Ammonio]Ethanesulfonate

All present enzymatic activity of Crystal Structure of the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 2-[(3-Bromobenzyl)Ammonio]Ethanesulfonate:
3.2.1.18;

Protein crystallography data

The structure of Crystal Structure of the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 2-[(3-Bromobenzyl)Ammonio]Ethanesulfonate, PDB code: 4fpy was solved by P.Brear, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.27 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.228, 82.511, 115.873, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 23.4

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 2-[(3-Bromobenzyl)Ammonio]Ethanesulfonate (pdb code 4fpy). 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 the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 2-[(3-Bromobenzyl)Ammonio]Ethanesulfonate, PDB code: 4fpy:

Bromine binding site 1 out of 1 in 4fpy

Go back to Bromine Binding Sites List in 4fpy
Bromine binding site 1 out of 1 in the Crystal Structure of the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 2-[(3-Bromobenzyl)Ammonio]Ethanesulfonate


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 the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 2-[(3-Bromobenzyl)Ammonio]Ethanesulfonate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br701

b:36.6
occ:1.00
 BR A:0V8701 0.0 36.6 1.0
CAM A:0V8701 1.9 27.1 1.0
CAH A:0V8701 2.9 22.5 1.0
CAF A:0V8701 2.9 19.5 1.0
O A:SER271 3.1 25.7 1.0
CE A:MET346 4.0 48.0 1.0
C A:SER271 4.1 30.4 1.0
CB A:SER271 4.1 34.7 1.0
CB A:ASP270 4.1 19.7 1.0
CAN A:0V8701 4.2 29.8 1.0
SD A:MET346 4.2 38.0 1.0
CAE A:0V8701 4.2 19.9 1.0
N A:SER271 4.3 18.5 1.0
CA A:SER271 4.4 32.6 1.0
CD1 A:ILE326 4.7 19.8 1.0
C A:ASP270 4.7 19.3 1.0
CAG A:0V8701 4.7 23.3 1.0
OD1 A:ASP270 4.8 23.2 1.0
OG A:SER271 4.9 37.2 1.0
CG A:ASP270 4.9 18.6 1.0

Reference:

P.Brear, J.Telford, G.L.Taylor, N.J.Westwood. Synthesis and Structural Characterisation of Selective Non-Carbohydrate-Based Inhibitors of Bacterial Sialidases. Chembiochem V. 13 2374 2012.
ISSN: ISSN 1439-4227
PubMed: 23070966
DOI: 10.1002/CBIC.201200433
Page generated: Wed Jul 10 21:15:22 2024

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