Chlorine in PDB 4g0a: Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity

The structure of Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity, PDB code: 4g0a was solved by L.Hu, B.V.V.Prasad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.52 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.690, 107.690, 272.211, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 20.5

The structure of Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity (pdb code 4g0a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity, PDB code: 4g0a:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:11.9 occ:1.00 N A:HIS221 3.2 7.8 1.0 N A:LYS223 3.3 8.6 1.0 NE A:ARG227 3.3 9.8 1.0 OG1 A:THR220 3.3 4.7 1.0 O A:HIS225 3.4 4.7 1.0 NH2 A:ARG227 3.5 14.0 1.0 CE1 A:HIS225 3.5 7.7 1.0 NE2 A:HIS225 3.6 9.0 1.0 N A:GLY222 3.6 4.7 1.0 CA A:HIS221 3.7 9.1 1.0 CB A:HIS221 3.7 4.7 1.0 CB A:LYS223 3.7 13.9 1.0 C A:HIS221 3.7 8.9 1.0 ND1 A:HIS225 3.8 5.8 1.0 CZ A:ARG227 3.8 13.2 1.0 CA A:LYS223 3.8 9.5 1.0 CD2 A:HIS225 3.9 10.4 1.0 CG A:HIS225 4.0 8.3 1.0 N A:HIS225 4.0 4.6 1.0 N A:GLY224 4.1 4.5 1.0 C A:LYS223 4.1 6.6 1.0 C A:THR220 4.2 10.3 1.0 C A:HIS225 4.3 6.3 1.0 C A:GLY222 4.3 11.0 1.0 CD A:ARG227 4.4 15.2 1.0 CG A:LYS223 4.4 20.9 1.0 CA A:THR220 4.4 7.4 1.0 CB A:THR220 4.5 6.0 1.0 CG A:ARG227 4.5 12.1 1.0 O A:HIS221 4.5 5.8 1.0 CA A:GLY222 4.5 4.6 1.0 O A:HOH1304 4.5 6.5 1.0 CA A:HIS225 4.6 8.9 1.0 CG A:HIS221 4.7 6.8 1.0 CB A:HIS225 4.9 4.6 1.0 O A:LYS223 4.9 5.7 1.0

Chlorine binding site 2 out of 4 in the Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1200 b:5.6 occ:1.00 N B:HIS221 3.1 4.7 1.0 NE B:ARG227 3.2 5.0 1.0 N B:LYS223 3.3 5.0 1.0 NH2 B:ARG227 3.3 8.6 1.0 OG1 B:THR220 3.4 4.7 1.0 O B:HIS225 3.5 4.0 1.0 N B:GLY222 3.6 6.6 1.0 CE1 B:HIS225 3.6 5.7 1.0 CB B:HIS221 3.6 5.0 1.0 CA B:HIS221 3.6 9.6 1.0 CB B:LYS223 3.7 8.1 1.0 CZ B:ARG227 3.7 8.2 1.0 C B:HIS221 3.7 5.2 1.0 NE2 B:HIS225 3.7 5.0 1.0 ND1 B:HIS225 3.8 3.9 1.0 CA B:LYS223 3.8 4.8 1.0 CD2 B:HIS225 4.1 3.9 1.0 N B:HIS225 4.1 4.0 1.0 CG B:HIS225 4.1 5.1 1.0 N B:GLY224 4.2 4.6 1.0 C B:LYS223 4.2 5.2 1.0 C B:THR220 4.2 11.3 1.0 C B:GLY222 4.3 5.3 1.0 CG B:LYS223 4.3 19.4 1.0 CD B:ARG227 4.4 7.7 1.0 C B:HIS225 4.4 3.7 1.0 O B:HOH1310 4.4 4.9 1.0 CA B:THR220 4.5 9.3 1.0 CG B:ARG227 4.5 3.8 1.0 O B:HIS221 4.5 5.5 1.0 CB B:THR220 4.5 4.7 1.0 CA B:GLY222 4.5 5.5 1.0 CG B:HIS221 4.6 6.0 1.0 CA B:HIS225 4.7 7.3 1.0 O B:LYS223 4.9 5.8 1.0

Chlorine binding site 3 out of 4 in the Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:9.4 occ:1.00 N C:HIS221 3.2 9.6 1.0 N C:LYS223 3.2 8.4 1.0 NE C:ARG227 3.3 10.4 1.0 O C:HIS225 3.4 8.0 1.0 OG1 C:THR220 3.4 8.2 1.0 NH2 C:ARG227 3.4 10.3 1.0 N C:GLY222 3.6 8.7 1.0 CE1 C:HIS225 3.6 8.6 1.0 CB C:LYS223 3.6 8.2 1.0 CB C:HIS221 3.7 8.5 1.0 CA C:HIS221 3.7 13.1 1.0 NE2 C:HIS225 3.7 12.2 1.0 C C:HIS221 3.7 10.6 1.0 CA C:LYS223 3.8 8.3 1.0 CZ C:ARG227 3.8 11.4 1.0 ND1 C:HIS225 3.8 9.1 1.0 CD2 C:HIS225 4.0 7.1 1.0 N C:HIS225 4.1 7.5 1.0 CG C:HIS225 4.1 7.1 1.0 N C:GLY224 4.1 9.5 1.0 C C:LYS223 4.1 8.0 1.0 C C:THR220 4.2 10.3 1.0 C C:GLY222 4.3 13.0 1.0 C C:HIS225 4.3 8.6 1.0 CG C:LYS223 4.4 38.0 1.0 O C:HOH502 4.4 4.5 1.0 CD C:ARG227 4.4 11.2 1.0 CG C:ARG227 4.4 7.4 1.0 CA C:THR220 4.4 11.4 1.0 CA C:GLY222 4.5 9.9 1.0 O C:HIS221 4.5 8.9 1.0 CB C:THR220 4.5 10.6 1.0 CG C:HIS221 4.6 13.0 1.0 CA C:HIS225 4.6 11.3 1.0 O C:LYS223 4.9 12.9 1.0 CD C:LYS223 5.0 44.0 1.0 CB C:HIS225 5.0 7.0 1.0

Chlorine binding site 4 out of 4 in the Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5'-Gg Sequence For Rtpase Activity within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:8.5 occ:1.00 N D:HIS221 3.2 7.4 1.0 N D:LYS223 3.3 6.9 1.0 NE D:ARG227 3.3 4.5 1.0 OG1 D:THR220 3.4 4.6 1.0 O D:HIS225 3.4 5.8 1.0 NH2 D:ARG227 3.5 11.4 1.0 CE1 D:HIS225 3.5 3.8 1.0 N D:GLY222 3.6 9.4 1.0 CB D:HIS221 3.6 7.0 1.0 CA D:HIS221 3.7 4.6 1.0 CB D:LYS223 3.7 11.8 1.0 NE2 D:HIS225 3.7 2.8 1.0 C D:HIS221 3.7 10.7 1.0 ND1 D:HIS225 3.7 6.9 1.0 CA D:LYS223 3.8 6.2 1.0 CZ D:ARG227 3.9 9.3 1.0 CD2 D:HIS225 4.0 2.9 1.0 CG D:HIS225 4.1 5.2 1.0 N D:HIS225 4.1 3.9 1.0 N D:GLY224 4.1 8.1 1.0 C D:LYS223 4.2 7.1 1.0 C D:THR220 4.3 11.2 1.0 C D:HIS225 4.3 6.7 1.0 C D:GLY222 4.3 12.8 1.0 CG D:LYS223 4.4 23.3 1.0 CD D:ARG227 4.4 5.4 1.0 O D:HIS221 4.4 7.2 1.0 CG D:ARG227 4.5 5.1 1.0 CA D:THR220 4.5 6.7 1.0 O D:HOH501 4.5 6.3 1.0 CA D:GLY222 4.5 13.5 1.0 CB D:THR220 4.5 7.2 1.0 CA D:HIS225 4.6 7.1 1.0 CG D:HIS221 4.7 5.5 1.0 CD D:LYS223 4.9 40.7 1.0 O D:LYS223 4.9 5.7 1.0 CB D:HIS225 4.9 3.8 1.0

L.Hu, D.C.Chow, J.T.Patton, T.Palzkill, M.K.Estes, B.V.Prasad. Crystallographic Analysis of Rotavirus NSP2-Rna Complex Reveals Specific Recognition of 5' Gg Sequence For Rtpase Activity. J.Virol. V. 86 10547 2012.
ISSN: ISSN 0022-538X
PubMed: 22811529
DOI: 10.1128/JVI.01201-12