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

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

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

Resolution Low / High (Å) 25.88 / 2.23
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 76.376, 82.579, 116.688, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 22.5

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 1 in 4fpf

Go back to Chlorine Binding Sites List in 4fpf
Chlorine binding site 1 out of 1 in the Crystal Structure of the Nanb Sialidase From Streptococcus Pneumoniae in Complex with 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 2-[(3-Chlorobenzyl)Ammonio]Ethanesulfonate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:34.1
occ:1.00
 CL A:JKK701 0.0 34.1 1.0
CAM A:JKK701 1.7 35.5 1.0
CAF A:JKK701 2.7 25.4 1.0
CAH A:JKK701 2.7 23.3 1.0
O A:SER271 3.1 28.3 1.0
N A:ASN352 3.2 52.5 1.0
CE A:MET346 3.3 32.9 1.0
CB A:ASN352 3.8 50.2 1.0
CG A:ASN352 3.8 59.7 1.0
OD1 A:ASN352 3.8 67.2 1.0
CA A:GLY351 3.9 42.5 1.0
C A:GLY351 3.9 51.0 1.0
CB A:ASP270 4.0 20.9 1.0
CAE A:JKK701 4.0 19.8 1.0
CAN A:JKK701 4.0 29.7 1.0
C A:SER271 4.0 31.3 1.0
N A:SER271 4.1 16.6 1.0
CA A:ASN352 4.1 55.8 1.0
CB A:SER271 4.1 29.5 1.0
CA A:SER271 4.3 33.1 1.0
CD1 A:ILE326 4.4 18.3 1.0
ND2 A:ASN352 4.5 54.6 1.0
CAG A:JKK701 4.5 23.9 1.0
O A:HOH1372 4.5 23.8 1.0
C A:ASP270 4.5 22.9 1.0
OD1 A:ASP270 4.5 22.9 1.0
CG A:ASP270 4.7 23.0 1.0
CA A:ASP270 4.9 21.8 1.0
OG A:SER271 4.9 38.6 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: Sun Jul 21 13:59:35 2024

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