Chlorine in PDB 2xzk: The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights

All present enzymatic activity of The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights:
3.2.1.18;

The structure of The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights, PDB code: 2xzk was solved by J.C.Telford, J.H.F.Yeung, M.J.Kiefel, A.G.Watts, S.Hader, J.Chan, A.J.Bennet, M.M.Moore, G.L.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.01 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.680, 58.080, 94.450, 90.00, 100.05, 90.00
R / Rfree (%)	17.923 / 21.375

The structure of The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights also contains other interesting chemical elements:

Fluorine	(F)	12 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights (pdb code 2xzk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights, PDB code: 2xzk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:11.8 occ:1.00 O8 A:FKD500 2.9 10.2 1.0 O9 A:FKD500 3.1 9.9 1.0 O A:HOH2390 3.1 8.0 1.0 NE1 A:TRP202 3.2 9.0 1.0 CB A:ALA248 3.4 9.9 1.0 CB A:ALA204 3.6 7.2 1.0 CG A:GLU249 3.6 7.7 1.0 C8 A:FKD500 3.6 8.3 1.0 C7 A:FKD500 3.7 9.3 1.0 C9 A:FKD500 3.9 8.8 1.0 CE2 A:TRP202 4.0 8.9 1.0 CZ2 A:TRP202 4.1 11.4 1.0 OE2 A:GLU249 4.2 8.0 1.0 CD A:GLU249 4.2 9.5 1.0 CD1 A:TRP202 4.3 10.5 1.0 C A:ALA248 4.3 9.3 1.0 C6 A:FKD500 4.3 8.3 1.0 O A:ALA248 4.4 9.5 1.0 O5 A:FKD500 4.4 7.8 1.0 CA A:ALA248 4.5 9.5 1.0 O A:HOH2550 4.5 18.5 1.0 N A:GLU249 4.6 8.6 1.0 O A:HOH2552 4.7 26.4 1.0 CB A:GLU249 4.8 8.6 1.0 O7 A:FKD500 4.8 8.8 1.0 NE2 A:GLN148 4.9 8.6 1.0

Chlorine binding site 2 out of 2 in the The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl508 b:13.6 occ:1.00 O8 B:FKD500 2.9 7.5 1.0 O B:HOH2352 3.1 9.3 1.0 O9 B:FKD500 3.1 9.1 1.0 NE1 B:TRP202 3.1 10.2 1.0 CB B:ALA248 3.5 9.7 1.0 CB B:ALA204 3.6 5.8 1.0 C8 B:FKD500 3.6 7.6 1.0 C7 B:FKD500 3.6 7.2 1.0 CG B:GLU249 3.7 9.2 1.0 C9 B:FKD500 3.9 8.8 1.0 CE2 B:TRP202 3.9 8.8 1.0 CZ2 B:TRP202 4.1 8.8 1.0 OE2 B:GLU249 4.1 8.7 1.0 CD1 B:TRP202 4.2 9.6 1.0 CD B:GLU249 4.2 9.8 1.0 C6 B:FKD500 4.3 7.1 1.0 C B:ALA248 4.3 8.8 1.0 O5 B:FKD500 4.4 8.6 1.0 O B:HOH2514 4.5 16.1 1.0 O B:ALA248 4.5 9.4 1.0 CA B:ALA248 4.5 8.7 1.0 N B:GLU249 4.6 8.1 1.0 O7 B:FKD500 4.8 9.3 1.0 CB B:GLU249 4.9 8.3 1.0

J.C.Telford, J.H.F.Yeung, G.Xu, M.J.Kiefel, A.G.Watts, S.Hader, J.Chan, A.J.Bennet, M.M.Moore, G.L.Taylor. The Aspergillus Fumigatus Sialidase Is A Kdnase: Structural and Mechanistic Insights. J.Biol.Chem. V. 286 10783 2011.
ISSN: ISSN 0021-9258
PubMed: 21247893
DOI: 10.1074/JBC.M110.207043