Chlorine in PDB 2xcy: Crystal Structure of Aspergillus Fumigatus Sialidase

All present enzymatic activity of Crystal Structure of Aspergillus Fumigatus Sialidase:
3.2.1.18;

The structure of Crystal Structure of Aspergillus Fumigatus Sialidase, PDB code: 2xcy was solved by J.C.Telford, J.Yeung, G.Xu, A.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)	12.40 / 1.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.890, 58.190, 94.700, 90.00, 100.01, 90.00
R / Rfree (%)	15.3 / 19.4

The binding sites of Chlorine atom in the Crystal Structure of Aspergillus Fumigatus Sialidase (pdb code 2xcy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Aspergillus Fumigatus Sialidase, PDB code: 2xcy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Aspergillus Fumigatus Sialidase


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 Aspergillus Fumigatus Sialidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1387 b:48.9 occ:1.00 O A:HOH2150 2.6 32.3 1.0 O A:HOH2515 2.8 18.8 1.0 NH2 A:ARG302 2.9 11.3 1.0 O A:HOH2465 3.2 20.9 1.0 OH A:TYR338 3.3 4.8 1.0 NH1 A:ARG245 3.3 7.6 1.0 NH1 A:ARG302 3.5 10.4 1.0 NH2 A:ARG245 3.5 8.1 1.0 CZ A:ARG302 3.7 11.6 1.0 CZ A:ARG245 3.9 8.7 1.0 O A:HOH2400 3.9 29.0 1.0 CE1 A:TYR338 4.0 4.7 1.0 CZ A:TYR338 4.1 5.3 1.0 NH2 A:ARG39 4.4 6.4 1.0 O A:HOH2148 4.6 22.9 1.0 NH1 A:ARG39 4.6 5.4 1.0 O A:HOH2548 4.9 10.3 1.0 NE A:ARG302 5.0 10.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Aspergillus Fumigatus Sialidase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Aspergillus Fumigatus Sialidase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1387 b:42.2 occ:1.00 O B:HOH2446 2.8 20.8 1.0 OH B:TYR338 3.3 7.9 1.0 NH2 B:ARG302 3.3 9.1 1.0 NH1 B:ARG245 3.5 8.2 1.0 NH1 B:ARG302 3.5 9.3 1.0 NH2 B:ARG245 3.7 10.0 1.0 CZ B:ARG302 3.8 10.7 1.0 CE1 B:TYR338 3.8 6.1 1.0 CZ B:TYR338 4.0 6.9 1.0 CZ B:ARG245 4.1 10.0 1.0 NH2 B:ARG39 4.3 4.9 1.0 NH1 B:ARG39 4.4 7.2 1.0 O B:HOH2471 4.5 9.3 1.0 O B:HOH2115 4.6 22.1 1.0 CZ B:ARG39 4.8 5.8 1.0 O B:HOH2334 5.0 22.3 1.0

J.C.Telford, J.H.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