Chlorine in PDB 2a5a: Crystal Structure of Unbound Sars Coronavirus Main Peptidase in the Space Group C2

The structure of Crystal Structure of Unbound Sars Coronavirus Main Peptidase in the Space Group C2, PDB code: 2a5a was solved by T.-W.Lee, M.M.Cherney, C.Huitema, J.Liu, K.E.James, J.C.Powers, L.D.Eltis, M.N.James, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.08
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	107.758, 82.140, 53.128, 90.00, 104.87, 90.00
R / Rfree (%)	19.2 / 24.6

The binding sites of Chlorine atom in the Crystal Structure of Unbound Sars Coronavirus Main Peptidase in the Space Group C2 (pdb code 2a5a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Unbound Sars Coronavirus Main Peptidase in the Space Group C2, PDB code: 2a5a:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Unbound Sars Coronavirus Main Peptidase in the Space Group C2


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 Unbound Sars Coronavirus Main Peptidase in the Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:73.9 occ:1.00 NE2 A:HIS163 3.3 46.3 1.0 CB A:GLU166 3.9 58.6 1.0 OG A:SER144 4.0 60.0 1.0 O A:LEU141 4.0 56.6 1.0 CD2 A:HIS163 4.1 49.6 1.0 CB A:PHE140 4.1 53.9 1.0 N A:GLU166 4.1 52.0 1.0 CE1 A:HIS163 4.2 51.1 1.0 C A:MET165 4.5 53.7 1.0 CA A:GLU166 4.6 54.8 1.0 OE2 A:GLU166 4.6 73.8 1.0 CD2 A:HIS172 4.6 47.8 1.0 O A:PHE140 4.6 53.9 1.0 O A:HOH345 4.6 53.9 1.0 C A:LEU141 4.7 57.8 1.0 C A:PHE140 4.7 54.5 1.0 SG A:CYS145 4.8 63.1 1.0 CA A:MET165 4.8 54.1 0.5 CD A:GLU166 4.9 71.8 1.0 NE2 A:HIS172 4.9 48.9 1.0 CG A:PHE140 5.0 59.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Unbound Sars Coronavirus Main Peptidase in the Space Group C2


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 Unbound Sars Coronavirus Main Peptidase in the Space Group C2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:82.0 occ:1.00 O A:HOH410 2.3 68.9 1.0 O A:HOH322 4.2 50.6 1.0 O A:HOH370 4.3 51.8 1.0 SG A:CYS85 4.4 53.8 1.0 O A:HOH369 4.6 50.9 1.0 NH2 A:ARG40 4.6 51.7 1.0 OD1 A:ASN84 4.9 61.6 1.0 CB A:ASN84 5.0 55.9 1.0

T.-W.Lee, M.M.Cherney, C.Huitema, J.Liu, K.E.James, J.C.Powers, L.D.Eltis, M.N.James. Crystal Structures of the Main Peptidase From the Sars Coronavirus Inhibited By A Substrate-Like Aza-Peptide Epoxide J.Mol.Biol. V. 353 1137 2005.
ISSN: ISSN 0022-2836
PubMed: 16219322
DOI: 10.1016/J.JMB.2005.09.004