Chlorine in PDB 4har: Crystal Structure of Rubella Virus Capsid Protein (Residues 127-277)

The structure of Crystal Structure of Rubella Virus Capsid Protein (Residues 127-277), PDB code: 4har was solved by V.Mangala Prasad, A.Fokine, M.G.Rossmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.62 / 2.66
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.760, 74.786, 96.075, 90.00, 97.53, 90.00
R / Rfree (%)	18.5 / 23

The binding sites of Chlorine atom in the Crystal Structure of Rubella Virus Capsid Protein (Residues 127-277) (pdb code 4har). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Rubella Virus Capsid Protein (Residues 127-277), PDB code: 4har:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Rubella Virus Capsid Protein (Residues 127-277)


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 Rubella Virus Capsid Protein (Residues 127-277) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:60.4 occ:1.00 O A:HOH310 2.1 47.7 1.0 O A:HOH309 2.7 29.6 1.0 O A:HOH301 3.8 36.5 1.0 O B:TYR83 3.8 49.3 1.0 CZ B:ARG115 4.3 46.3 1.0 NH2 B:ARG115 4.3 40.7 1.0 O A:HOH306 4.4 47.5 1.0 NE B:ARG115 4.4 49.8 1.0 CA B:ASN84 4.7 34.7 1.0 CE2 B:TYR83 4.7 35.3 1.0 NH1 B:ARG115 4.7 46.8 1.0 O B:ASN84 4.7 42.0 1.0 O A:TYR83 4.8 40.0 1.0 O A:ASN84 4.8 40.0 1.0 CD1 B:LEU117 4.9 34.9 1.0 C B:ASN84 4.9 36.2 1.0 C B:TYR83 4.9 47.3 1.0 NH2 A:ARG115 4.9 38.5 1.0 CD1 A:LEU117 5.0 34.6 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Rubella Virus Capsid Protein (Residues 127-277)


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 Rubella Virus Capsid Protein (Residues 127-277) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:67.3 occ:1.00 O C:HOH204 2.2 39.3 1.0 O C:HOH209 2.5 56.5 1.0 O D:TYR83 3.3 46.5 1.0 O D:HOH307 3.9 23.6 1.0 CZ D:ARG115 4.2 43.0 1.0 NE D:ARG115 4.3 41.0 1.0 CE2 D:TYR83 4.3 38.0 1.0 NH2 D:ARG115 4.4 47.2 1.0 CA D:ASN84 4.4 35.4 1.0 C D:TYR83 4.4 39.7 1.0 NH1 D:ARG115 4.5 40.0 1.0 O D:ASN84 4.6 47.6 1.0 CD2 D:TYR83 4.6 37.3 1.0 C D:ASN84 4.6 39.2 1.0 CD D:ARG115 4.8 45.5 1.0 CZ D:TYR83 4.9 41.0 1.0 CD1 D:LEU117 4.9 39.9 1.0 N D:ASN84 4.9 41.7 1.0 OD1 D:ASN84 4.9 47.1 1.0 O D:HOH313 5.0 44.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Rubella Virus Capsid Protein (Residues 127-277)


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 Rubella Virus Capsid Protein (Residues 127-277) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:74.5 occ:1.00 O F:HOH304 2.1 44.1 1.0 O F:HOH305 2.5 51.4 1.0 O F:HOH307 2.8 50.9 1.0 O E:TYR83 3.6 58.7 1.0 CZ E:ARG115 3.9 53.6 1.0 NH2 E:ARG115 4.0 58.2 1.0 NE E:ARG115 4.1 43.3 1.0 O E:HOH306 4.1 37.6 1.0 NH1 E:ARG115 4.2 46.5 1.0 O E:ASN84 4.4 52.0 1.0 CA E:ASN84 4.5 45.8 1.0 C E:ASN84 4.6 50.7 1.0 CD E:ARG115 4.7 39.6 1.0 C E:TYR83 4.7 56.6 1.0 CD1 E:LEU117 4.8 35.1 1.0 O E:GLN85 4.9 57.0 1.0 CE2 E:TYR83 5.0 41.7 1.0 NH2 F:ARG115 5.0 57.2 1.0 O F:TYR83 5.0 50.4 1.0 CD1 F:LEU117 5.0 47.9 1.0

V.Mangala Prasad, S.D.Willows, A.Fokine, A.J.Battisti, S.Sun, P.Plevka, T.C.Hobman, M.G.Rossmann. Rubella Virus Capsid Protein Structure and Its Role in Virus Assembly and Infection. Proc.Natl.Acad.Sci.Usa V. 110 20105 2013.
ISSN: ISSN 0027-8424
PubMed: 24282305
DOI: 10.1073/PNAS.1316681110