Chlorine in PDB 2w20: Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae

All present enzymatic activity of Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae:
3.2.1.18;

The structure of Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae, PDB code: 2w20 was solved by G.Xu, P.W.Andrew, G.L.Taylor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.23 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.200, 96.600, 218.200, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 22.5

The binding sites of Chlorine atom in the Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae (pdb code 2w20). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae, PDB code: 2w20:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1792 b:14.3 occ:1.00 NZ A:LYS524 3.1 13.4 1.0 OG A:SER526 3.2 18.3 1.0 N A:SER526 3.3 15.2 1.0 N A:ASN517 3.4 14.7 1.0 N A:THR525 3.4 15.3 1.0 O A:ASN517 3.5 11.8 1.0 CB A:LYS524 3.5 14.4 1.0 CB A:SER526 3.6 17.7 1.0 CA A:GLY516 3.7 17.7 1.0 CE A:LYS524 3.8 14.2 1.0 CG A:LYS524 3.8 13.6 1.0 CD2 A:PHE520 3.8 14.1 1.0 CA A:LYS524 3.8 15.1 1.0 CB A:PHE520 3.9 12.4 1.0 CA A:SER526 3.9 14.6 1.0 C A:GLY516 4.0 14.9 1.0 OG1 A:THR525 4.1 17.6 1.0 C A:LYS524 4.1 19.9 1.0 O A:SER526 4.1 19.7 1.0 C A:THR525 4.2 17.8 1.0 C A:ASN517 4.3 14.4 1.0 CG A:PHE520 4.3 12.7 1.0 CA A:THR525 4.3 16.1 1.0 CA A:ASN517 4.4 15.9 1.0 C A:SER526 4.4 17.8 1.0 CD A:LYS524 4.4 13.4 1.0 O A:HOH2079 4.5 18.3 1.0 CE2 A:PHE520 4.8 14.3 1.0 O A:LEU515 4.8 19.6 1.0 N A:GLY516 4.8 18.7 1.0 CB A:THR525 4.8 18.0 1.0 O A:PHE528 5.0 12.6 1.0

Chlorine binding site 2 out of 3 in the Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1793 b:35.9 occ:1.00 O A:HOH2403 2.5 22.7 1.0 O A:HOH2396 2.6 25.9 1.0 O A:VAL628 2.9 12.8 1.0 O A:HOH2410 3.1 20.0 1.0 O A:GLN631 3.2 10.8 1.0 CB A:GLN631 3.6 13.6 1.0 CB A:VAL628 3.7 14.4 1.0 C A:VAL628 3.9 13.1 1.0 C A:GLN631 3.9 12.0 1.0 CG1 A:VAL628 4.0 16.0 1.0 CG2 A:ILE633 4.0 14.4 1.0 OE1 A:GLN631 4.1 41.2 1.0 CA A:GLN631 4.2 12.1 1.0 CA A:VAL628 4.2 12.4 1.0 N A:GLN631 4.4 12.0 1.0 N A:VAL628 4.5 10.7 1.0 CG A:GLN631 4.7 18.3 1.0 ND2 A:ASN640 4.7 20.2 1.0 O A:LYS632 4.7 12.4 1.0 CG2 A:VAL628 4.8 14.3 1.0 CD A:GLN631 4.9 27.5 1.0

Chlorine binding site 3 out of 3 in the Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Catalytic Domain of the Native Nana Sialidase From Streptococcus Pneumoniae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1792 b:12.4 occ:1.00 OG B:SER526 3.2 14.4 1.0 NZ B:LYS524 3.2 10.9 1.0 N B:SER526 3.3 14.4 1.0 N B:ASN517 3.3 11.2 1.0 N B:THR525 3.4 14.1 1.0 O B:ASN517 3.5 9.8 1.0 CB B:LYS524 3.7 13.2 1.0 CA B:GLY516 3.7 12.9 1.0 CB B:SER526 3.7 14.1 1.0 CE B:LYS524 3.8 11.1 1.0 CG B:LYS524 3.8 12.4 1.0 CA B:LYS524 3.8 15.5 1.0 CD2 B:PHE520 3.9 14.7 1.0 CB B:PHE520 3.9 11.9 1.0 OG1 B:THR525 3.9 16.2 1.0 CA B:SER526 4.0 13.8 1.0 C B:GLY516 4.0 11.2 1.0 C B:LYS524 4.1 15.1 1.0 O B:SER526 4.1 11.9 1.0 C B:THR525 4.2 16.5 1.0 C B:ASN517 4.2 10.5 1.0 CA B:THR525 4.2 14.7 1.0 CG B:PHE520 4.4 12.4 1.0 CA B:ASN517 4.4 10.9 1.0 C B:SER526 4.4 11.8 1.0 CD B:LYS524 4.4 12.4 1.0 O B:HOH2232 4.6 16.4 1.0 CB B:THR525 4.8 14.4 1.0 N B:GLY516 4.8 13.6 1.0 O B:LEU515 4.8 17.3 1.0 CE2 B:PHE520 4.9 13.6 1.0 O B:PHE528 5.0 11.0 1.0

G.Xu, X.Li, P.W.Andrew, G.L.Taylor. Structure of the Catalytic Domain of Streptococcus Pneumoniae Sialidase Nana. Acta Crystallogr.,Sect.F V. 64 772 2008.
ISSN: ISSN 1744-3091
PubMed: 18765901
DOI: 10.1107/S1744309108024044