Chlorine in PDB 5kky: Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN

All present enzymatic activity of Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN:
3.2.1.18;

The structure of Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN, PDB code: 5kky was solved by D.Shi, G.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.80 / 2.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.325, 77.054, 85.810, 90.00, 98.52, 90.00
R / Rfree (%)	15.4 / 20.7

The binding sites of Chlorine atom in the Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN (pdb code 5kky). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN, PDB code: 5kky:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl901 b:21.9 occ:1.00 NZ A:LYS509 3.0 17.2 1.0 OG A:SER511 3.1 23.7 1.0 N A:SER511 3.2 26.2 1.0 N A:THR510 3.3 19.1 1.0 N A:ASN502 3.4 20.4 1.0 CB A:LYS509 3.5 23.4 1.0 O A:ASN502 3.5 19.4 1.0 CB A:SER511 3.7 22.4 1.0 CA A:LYS509 3.7 22.9 1.0 CE A:LYS509 3.7 21.5 1.0 CG A:LYS509 3.8 24.5 1.0 CA A:GLY501 3.8 23.8 1.0 CA A:SER511 3.8 19.6 1.0 O A:SER511 3.9 25.6 1.0 C A:LYS509 3.9 21.0 1.0 CD2 A:PHE505 4.0 23.7 1.0 CB A:PHE505 4.1 17.8 1.0 C A:GLY501 4.1 23.9 1.0 C A:THR510 4.1 21.7 1.0 OG1 A:THR510 4.1 20.3 1.0 CA A:THR510 4.2 18.1 1.0 C A:ASN502 4.2 24.1 1.0 C A:SER511 4.2 23.1 1.0 O A:HOH1226 4.4 22.7 1.0 CD A:LYS509 4.4 23.2 1.0 CA A:ASN502 4.4 21.8 1.0 CG A:PHE505 4.5 18.9 1.0 O A:LEU500 4.8 30.9 1.0 O A:PHE513 4.8 20.4 1.0 CB A:THR510 4.8 20.8 1.0 N A:GLY501 4.8 26.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Streptococcus Pneumonia Nana Bound with Inhibitor 9N3NEU5AC2EN within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl901 b:21.1 occ:1.00 NZ B:LYS509 2.9 18.7 1.0 OG B:SER511 3.1 21.0 1.0 N B:SER511 3.2 24.6 1.0 N B:ASN502 3.4 21.7 1.0 N B:THR510 3.4 23.5 1.0 O B:ASN502 3.5 19.9 1.0 CB B:LYS509 3.6 20.1 1.0 CB B:SER511 3.6 21.2 1.0 CE B:LYS509 3.7 20.9 1.0 CD2 B:PHE505 3.8 19.6 1.0 CG B:LYS509 3.8 19.7 1.0 CA B:GLY501 3.8 22.8 1.0 CA B:LYS509 3.8 20.2 1.0 CA B:SER511 3.9 27.7 1.0 CB B:PHE505 3.9 20.4 1.0 O B:SER511 4.0 25.7 1.0 O B:HOH1129 4.1 19.1 1.0 OG1 B:THR510 4.1 19.6 1.0 C B:LYS509 4.1 24.2 1.0 C B:GLY501 4.1 25.2 1.0 C B:THR510 4.2 24.8 1.0 C B:ASN502 4.3 20.9 1.0 CA B:THR510 4.3 20.3 1.0 C B:SER511 4.3 24.0 1.0 CG B:PHE505 4.3 18.4 1.0 CD B:LYS509 4.4 20.6 1.0 CA B:ASN502 4.4 19.8 1.0 O B:LEU500 4.7 26.5 1.0 CE2 B:PHE505 4.8 20.3 1.0 CB B:THR510 4.8 23.0 1.0 N B:GLY501 4.9 22.5 1.0 O B:PHE513 4.9 18.2 1.0 O B:HOH1109 5.0 22.7 1.0

T.J.Slack, G.Zhao. Synthesis of Selective Inhibitors Against S. Pneumoniae and V. Cholerae Sialidases To Be Published.