Chlorine in PDB 2ya7: Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir

All present enzymatic activity of Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir:
3.2.1.18;

The structure of Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir, PDB code: 2ya7 was solved by H.Gut, G.Xu, G.L.Taylor, M.A.Walsh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.81 / 1.89
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	49.856, 87.161, 126.410, 104.06, 91.04, 106.68
R / Rfree (%)	20.759 / 25.692

The binding sites of Chlorine atom in the Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir (pdb code 2ya7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir, PDB code: 2ya7:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir


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 Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1777 b:27.3 occ:1.00 OG A:SER511 3.1 29.1 1.0 NZ A:LYS509 3.2 24.1 1.0 N A:SER511 3.3 29.0 1.0 N A:ASN502 3.3 26.8 1.0 N A:THR510 3.3 29.8 1.0 O A:ASN502 3.5 24.6 1.0 CA A:GLY501 3.7 28.9 1.0 CB A:LYS509 3.7 28.9 1.0 CA A:LYS509 3.8 28.9 1.0 CD2 A:PHE505 3.8 22.9 1.0 CB A:SER511 3.8 28.4 1.0 CE A:LYS509 3.9 24.3 1.0 CG A:LYS509 3.9 27.6 1.0 C A:GLY501 4.0 28.3 1.0 C A:LYS509 4.0 29.7 1.0 OG1 A:THR510 4.0 30.0 1.0 CA A:SER511 4.0 28.4 1.0 CB A:PHE505 4.1 24.1 1.0 O A:SER511 4.2 27.9 1.0 C A:ASN502 4.2 25.4 1.0 C A:THR510 4.2 29.8 1.0 CA A:THR510 4.3 29.8 1.0 CA A:ASN502 4.3 26.2 1.0 O A:HOH2052 4.4 31.1 1.0 CG A:PHE505 4.4 24.7 1.0 C A:SER511 4.5 28.2 1.0 CD A:LYS509 4.5 27.6 1.0 N A:GLY501 4.7 30.9 1.0 CE2 A:PHE505 4.7 24.7 1.0 CB A:THR510 4.8 29.7 1.0 O A:PHE513 4.9 26.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir


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 Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1777 b:27.2 occ:1.00 NZ B:LYS509 3.1 23.5 1.0 OG B:SER511 3.2 28.6 1.0 N B:SER511 3.3 29.0 1.0 N B:ASN502 3.3 24.9 1.0 N B:THR510 3.3 29.7 1.0 O B:ASN502 3.5 23.4 1.0 CB B:LYS509 3.6 28.8 1.0 CA B:GLY501 3.7 26.5 1.0 CG B:LYS509 3.7 26.8 1.0 CA B:LYS509 3.8 29.0 1.0 CB B:SER511 3.8 28.6 1.0 CD2 B:PHE505 3.8 22.5 1.0 CE B:LYS509 3.9 24.2 1.0 CB B:PHE505 3.9 23.3 1.0 CA B:SER511 4.0 28.8 1.0 C B:GLY501 4.0 25.8 1.0 C B:LYS509 4.0 29.3 1.0 OG1 B:THR510 4.0 30.0 1.0 O B:SER511 4.1 28.4 1.0 C B:THR510 4.2 29.5 1.0 C B:ASN502 4.2 24.3 1.0 CA B:THR510 4.3 29.6 1.0 CA B:ASN502 4.3 24.6 1.0 CG B:PHE505 4.3 24.1 1.0 C B:SER511 4.5 28.6 1.0 CD B:LYS509 4.5 25.5 1.0 O B:HOH2042 4.5 29.2 1.0 N B:GLY501 4.8 28.0 1.0 CB B:THR510 4.8 29.7 1.0 CE2 B:PHE505 4.8 23.7 1.0 O B:LEU500 4.9 29.6 1.0 O B:PHE513 4.9 25.0 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1777 b:28.6 occ:1.00 NZ C:LYS509 3.1 22.1 1.0 OG C:SER511 3.1 27.4 1.0 N C:ASN502 3.2 25.5 1.0 N C:SER511 3.3 28.1 1.0 N C:THR510 3.4 29.5 1.0 O C:ASN502 3.4 24.1 1.0 CA C:GLY501 3.6 27.9 1.0 CB C:LYS509 3.6 29.5 1.0 CB C:SER511 3.8 27.6 1.0 CA C:LYS509 3.8 29.2 1.0 CD2 C:PHE505 3.8 23.3 1.0 CE C:LYS509 3.8 22.4 1.0 CG C:LYS509 3.9 27.6 1.0 C C:GLY501 3.9 26.8 1.0 CA C:SER511 4.0 28.0 1.0 CB C:PHE505 4.0 25.1 1.0 C C:LYS509 4.0 29.6 1.0 OG1 C:THR510 4.0 30.5 1.0 C C:ASN502 4.1 24.7 1.0 O C:SER511 4.2 28.1 1.0 C C:THR510 4.2 29.2 1.0 CA C:ASN502 4.3 25.1 1.0 CA C:THR510 4.3 29.3 1.0 CG C:PHE505 4.3 25.4 1.0 CD C:LYS509 4.5 27.8 1.0 O C:HOH2043 4.5 29.7 1.0 C C:SER511 4.5 27.9 1.0 N C:GLY501 4.7 30.1 1.0 CE2 C:PHE505 4.8 24.8 1.0 CB C:THR510 4.8 29.7 1.0 O C:PHE513 4.9 25.8 1.0 O C:LEU500 5.0 32.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Streptococcus Pneumoniae Nana (TIGR4) in Complex with Zanamivir within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1777 b:29.8 occ:1.00 NZ D:LYS509 2.9 29.0 1.0 OG D:SER511 3.0 31.4 1.0 N D:SER511 3.2 31.7 1.0 N D:ASN502 3.3 25.1 1.0 N D:THR510 3.4 32.0 1.0 O D:ASN502 3.5 23.9 1.0 CB D:LYS509 3.6 30.7 1.0 CB D:SER511 3.6 31.4 1.0 CA D:GLY501 3.7 26.8 1.0 CA D:LYS509 3.8 30.6 1.0 CE D:LYS509 3.8 29.3 1.0 CG D:LYS509 3.8 30.1 1.0 CA D:SER511 3.8 31.1 1.0 CD2 D:PHE505 3.9 21.9 1.0 C D:GLY501 4.0 26.0 1.0 CB D:PHE505 4.0 24.6 1.0 O D:SER511 4.0 31.1 1.0 C D:LYS509 4.1 31.1 1.0 C D:ASN502 4.2 24.6 1.0 C D:THR510 4.2 32.3 1.0 OG1 D:THR510 4.2 32.1 1.0 CA D:ASN502 4.3 24.7 1.0 C D:SER511 4.3 31.0 1.0 CA D:THR510 4.4 32.2 1.0 CG D:PHE505 4.4 25.4 1.0 CD D:LYS509 4.4 30.3 1.0 O D:HOH2037 4.7 31.8 1.0 N D:GLY501 4.8 28.4 1.0 O D:PHE513 4.8 25.7 1.0 O D:LEU500 4.9 29.5 1.0 CE2 D:PHE505 4.9 25.1 1.0 CB D:THR510 5.0 32.2 1.0

H.Gut, G.Xu, G.L.Taylor, M.A.Walsh. Structural Basis For Streptococcus Pneumoniae Nana Inhibition By Influenza Antivirals Zanamivir and Oseltamivir Carboxylate. J.Mol.Biol. V. 409 496 2011.
ISSN: ISSN 0022-2836
PubMed: 21514303
DOI: 10.1016/J.JMB.2011.04.016