Chlorine in PDB 1hav: Hepatitis A Virus 3C Proteinase

All present enzymatic activity of Hepatitis A Virus 3C Proteinase:
2.7.7.48;

The structure of Hepatitis A Virus 3C Proteinase, PDB code: 1hav was solved by E.M.Bergmann, M.N.G.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.600, 53.550, 53.200, 99.08, 129.00, 103.31
R / Rfree (%)	21.1 / 26.5

The binding sites of Chlorine atom in the Hepatitis A Virus 3C Proteinase (pdb code 1hav). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Hepatitis A Virus 3C Proteinase, PDB code: 1hav:

Chlorine binding site 1 out of 1 in the Hepatitis A Virus 3C Proteinase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hepatitis A Virus 3C Proteinase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl218 b:16.9 occ:1.00 N B:THR2 3.4 11.2 1.0 OG1 B:THR2 3.4 14.5 1.0 CB B:THR2 3.7 10.9 1.0 O B:HOH253 3.8 35.6 1.0 ND2 B:ASN185 3.9 11.6 1.0 CB B:SER1 4.1 15.4 1.0 CA B:THR2 4.2 12.7 1.0 CA B:SER1 4.2 13.5 1.0 C B:SER1 4.3 12.2 1.0 CG B:ASN185 4.6 12.1 1.0 OD1 B:ASN185 4.6 9.1 1.0 O B:SER179 5.0 12.9 1.0

E.M.Bergmann, S.C.Mosimann, M.M.Chernaia, B.A.Malcolm, M.N.James. The Refined Crystal Structure of the 3C Gene Product From Hepatitis A Virus: Specific Proteinase Activity and Rna Recognition. J.Virol. V. 71 2436 1997.
ISSN: ISSN 0022-538X
PubMed: 9032381