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Chlorine in PDB 4xhx: Crystal Structure of the Nanb Sialidase From Streptococcus Pneumoniae in Complex with Optactin and 2-[(3-Chlorobenzyl) Ammonio]Ethanesulfonate

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

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

Protein crystallography data

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

Resolution Low / High (Å) 25.95 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.469, 82.709, 117.032, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 22.1

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 1 in 4xhx

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


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 the Nanb Sialidase From Streptococcus Pneumoniae in Complex with Optactin and 2-[(3-Chlorobenzyl) Ammonio]Ethanesulfonate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:26.8
occ:1.00
 CL A:JKK701 0.0 26.8 1.0
CAM A:JKK701 1.7 21.5 1.0
CAH A:JKK701 2.7 16.4 1.0
CAF A:JKK701 2.7 19.8 1.0
N A:ASN352 2.9 32.2 1.0
O A:SER271 3.0 16.1 1.0
OD1 A:ASN352 3.2 45.6 1.0
CA A:GLY351 3.5 24.9 1.0
CG A:ASN352 3.6 39.7 1.0
C A:GLY351 3.6 29.6 1.0
CB A:ASN352 3.8 30.0 1.0
C A:SER271 3.8 17.0 1.0
CA A:ASN352 3.9 36.8 1.0
CB A:SER271 3.9 14.3 1.0
N A:SER271 4.0 9.7 1.0
CAN A:JKK701 4.1 16.2 1.0
CAE A:JKK701 4.1 14.1 1.0
CB A:ASP270 4.1 11.3 1.0
CA A:SER271 4.1 14.7 1.0
CD1 A:ILE326 4.3 6.6 1.0
ND2 A:ASN352 4.5 37.5 1.0
C A:ASP270 4.6 15.9 1.0
CE A:MET346 4.6 25.5 1.0
CAG A:JKK701 4.6 18.1 1.0
O A:HOH816 4.6 20.6 1.0
OG A:SER271 4.7 18.4 1.0
OD2 A:ASP270 4.8 10.3 1.0
N A:ASN353 4.8 32.8 1.0
CG A:ASP270 4.8 10.8 1.0
O A:GLY351 4.9 27.7 1.0
N A:LYS272 4.9 16.2 1.0
N A:GLY351 4.9 20.8 1.0
C A:ASN352 4.9 35.5 1.0
CA A:ASP270 4.9 10.4 1.0
SD A:MET346 5.0 20.5 1.0
O A:HOH1258 5.0 34.6 1.0

Reference:

G.W.Rogers, P.Brear, L.Yang, A.S.Chen, J.B.O.Mitchell, G.L.Taylor, N.J.Westwood. The Hunt For Serendipitous Allosteric Sites: Discovery of A Novel Allosteric Inhibitor of the Bacterial Sialidase Nanb To Be Published.
Page generated: Sat Dec 12 11:20:36 2020

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