Chlorine in PDB 9edn: Gii.23: LORETO1847 Norovirus Protruding Domain

The structure of Gii.23: LORETO1847 Norovirus Protruding Domain, PDB code: 9edn was solved by D.L.Holroyd, A.Kumar, J.B.Bruning, G.S.Hansman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.48 / 1.22
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.14, 80.96, 71.79, 90, 113.44, 90
R / Rfree (%)	12.3 / 14.6

The binding sites of Chlorine atom in the Gii.23: LORETO1847 Norovirus Protruding Domain (pdb code 9edn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Gii.23: LORETO1847 Norovirus Protruding Domain, PDB code: 9edn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Gii.23: LORETO1847 Norovirus Protruding Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Gii.23: LORETO1847 Norovirus Protruding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:13.2 occ:0.88 HG A:SER449 2.2 11.0 1.0 H B:LYS352 2.4 8.1 1.0 HA B:GLN351 2.8 9.3 1.0 O A:HOH1218 2.9 39.7 1.0 OG A:SER449 2.9 9.2 1.0 O B:HOH1254 3.0 42.2 1.0 N B:LYS352 3.2 6.7 1.0 HA2 A:GLY448 3.2 9.6 1.0 HB2 B:LYS352 3.4 10.8 1.0 HG3 B:LYS352 3.4 12.6 1.0 HD2 B:LYS352 3.5 14.6 1.0 HB2 A:SER449 3.5 10.5 1.0 HB3 B:GLN351 3.5 10.9 1.0 H A:SER449 3.6 8.8 1.0 CA B:GLN351 3.6 7.8 1.0 N A:SER449 3.6 7.3 1.0 HG2 B:GLN351 3.6 14.3 1.0 C A:GLY448 3.7 7.4 1.0 CB A:SER449 3.7 8.7 1.0 CA A:GLY448 3.8 8.0 1.0 C B:GLN351 3.9 6.9 1.0 CB B:GLN351 3.9 9.1 1.0 CB B:LYS352 3.9 9.0 1.0 CG B:LYS352 3.9 10.5 1.0 H A:GLY448 4.1 9.0 1.0 CD B:LYS352 4.1 12.1 1.0 CA B:LYS352 4.2 7.5 1.0 O A:GLY448 4.2 7.5 1.0 CA A:SER449 4.3 7.4 1.0 CG B:GLN351 4.3 11.9 1.0 O A:HOH970 4.4 12.9 0.5 N A:GLY448 4.4 7.5 1.0 O A:HOH878 4.5 23.5 0.9 HE21 B:GLN351 4.5 22.5 1.0 HB3 A:SER449 4.6 10.5 1.0 HD3 B:ARG340 4.6 10.5 1.0 HE3 B:LYS352 4.6 17.8 1.0 HA3 A:GLY448 4.7 9.6 1.0 O B:ASN350 4.7 10.4 0.9 O B:HOH767 4.7 28.2 1.0 O B:HOH706 4.7 32.7 0.6 HA A:SER449 4.7 8.9 1.0 O B:LYS352 4.8 6.8 1.0 O B:HOH1129 4.8 41.3 1.0 HB3 B:LYS352 4.8 10.8 1.0 HB2 B:GLN351 4.8 10.9 1.0 N B:GLN351 4.8 8.2 1.0 HG2 B:LYS352 4.8 12.6 1.0 HD3 B:LYS352 4.9 14.6 1.0 HA B:LYS352 4.9 9.0 1.0 HZ2 B:LYS352 4.9 21.1 1.0 CE B:LYS352 4.9 14.8 1.0 HG3 B:GLN351 5.0 14.3 1.0

Chlorine binding site 2 out of 3 in the Gii.23: LORETO1847 Norovirus Protruding Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Gii.23: LORETO1847 Norovirus Protruding Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl612 b:45.2 occ:1.00 HG1 A:THR428 2.6 19.4 1.0 OG1 A:THR428 3.0 16.2 1.0 O A:HOH966 3.1 16.2 1.0 O A:HOH1081 3.3 49.5 1.0 HE1 A:HIS495 3.5 9.4 1.0 HG23 A:THR428 3.5 20.6 1.0 HB2 A:GLN526 3.5 14.3 1.0 HG21 A:THR428 3.6 20.6 1.0 CE1 A:HIS495 3.7 7.8 1.0 ND1 A:HIS495 3.7 8.5 1.0 HB3 A:GLN526 3.7 14.3 1.0 CG2 A:THR428 3.9 17.1 1.0 O A:HOH823 4.0 14.7 1.0 O A:HOH964 4.0 14.8 1.0 CB A:THR428 4.1 15.3 1.0 CB A:GLN526 4.1 11.9 1.0 H A:THR428 4.1 15.0 1.0 O A:HOH1279 4.2 13.2 1.0 OE1 A:GLN526 4.2 16.0 1.0 HZ A:PHE499 4.4 12.4 1.0 O A:HOH1085 4.5 40.4 1.0 O A:HOH819 4.6 11.2 1.0 O A:HOH752 4.6 19.2 1.0 HB A:THR428 4.7 18.4 1.0 CD A:GLN526 4.7 14.5 1.0 NE2 A:HIS495 4.7 8.1 1.0 CG A:HIS495 4.8 6.8 1.0 N A:THR428 4.8 12.5 1.0 HG22 A:THR428 4.8 20.6 1.0 HA A:GLN526 4.8 14.1 1.0

Chlorine binding site 3 out of 3 in the Gii.23: LORETO1847 Norovirus Protruding Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Gii.23: LORETO1847 Norovirus Protruding Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl608 b:10.3 occ:0.86 HG B:SER449 2.3 9.1 0.9 HG B:SER449 2.3 7.8 0.1 H A:LYS352 2.3 8.8 0.4 H A:LYS352 2.3 8.8 0.6 HA A:GLN351 2.9 9.2 1.0 HG2 A:LYS352 3.0 10.8 0.4 OG B:SER449 3.1 7.6 0.9 HA2 B:GLY448 3.1 8.4 1.0 O A:HOH1063 3.1 16.2 1.0 OG B:SER449 3.1 6.5 0.1 N A:LYS352 3.2 7.3 1.0 O A:HOH1258 3.2 36.0 1.0 HB2 A:LYS352 3.3 10.0 0.6 HB3 A:GLN351 3.4 9.2 1.0 HB2 B:SER449 3.5 8.9 0.9 HB2 A:LYS352 3.5 9.4 0.4 HB3 B:SER449 3.5 7.8 0.1 C B:GLY448 3.6 6.2 1.0 N B:SER449 3.6 6.0 1.0 H B:SER449 3.6 7.2 0.1 H B:SER449 3.6 7.2 0.9 CA A:GLN351 3.7 7.6 1.0 HG2 A:GLN351 3.7 11.2 1.0 CA B:GLY448 3.7 7.0 1.0 CB B:SER449 3.8 7.4 0.9 CG A:LYS352 3.8 9.0 0.4 CB B:SER449 3.8 6.5 0.1 HG3 A:LYS352 3.8 11.3 0.6 H B:GLY448 3.9 7.5 1.0 HD2 A:LYS352 3.9 12.5 0.6 CB A:GLN351 3.9 7.7 1.0 C A:GLN351 3.9 7.1 1.0 CB A:LYS352 3.9 7.8 0.4 CB A:LYS352 4.0 8.4 0.6 HG3 A:LYS352 4.1 10.8 0.4 O B:GLY448 4.1 6.6 1.0 CA A:LYS352 4.2 7.1 0.4 CA A:LYS352 4.2 7.3 0.6 HE21 A:GLN351 4.2 13.1 1.0 N B:GLY448 4.2 6.2 1.0 CG A:GLN351 4.3 9.3 1.0 CG A:LYS352 4.3 9.4 0.6 CA B:SER449 4.3 6.5 0.9 CA B:SER449 4.3 6.4 0.1 O B:HOH790 4.5 10.5 1.0 HA3 B:GLY448 4.5 8.4 1.0 CD A:LYS352 4.6 10.4 0.6 O A:LYS352 4.6 6.7 1.0 HB3 B:SER449 4.6 8.9 0.9 HB2 B:SER449 4.7 7.8 0.1 HA B:SER449 4.8 7.9 0.9 O A:HOH850 4.8 29.9 1.0 HB2 A:GLN351 4.8 9.2 1.0 HA B:SER449 4.8 7.7 0.1 O B:HOH930 4.8 24.4 1.0 NE2 A:GLN351 4.9 10.9 1.0 HD3 A:LYS352 4.9 11.9 0.4 O A:ASN350 4.9 8.8 0.9 HB3 A:LYS352 4.9 9.4 0.4 HB3 A:LYS352 4.9 10.0 0.6 HA A:LYS352 4.9 8.6 0.4 O A:HOH1123 4.9 42.6 1.0 C A:LYS352 4.9 6.5 1.0 N A:GLN351 4.9 8.4 1.0 HA A:LYS352 4.9 8.7 0.6 HD3 A:ARG340 5.0 10.6 1.0 CD A:LYS352 5.0 9.9 0.4

D.L.Holroyd, A.Kumar, J.B.Bruning, G.S.Hansman. Gii.23: LORETO1847 Norovirus Protruding Domain To Be Published.