Chlorine in PDB 5og7: Endothiapepsin in Complex with Hydrazide Fragment

All present enzymatic activity of Endothiapepsin in Complex with Hydrazide Fragment:
3.4.23.22;

The structure of Endothiapepsin in Complex with Hydrazide Fragment, PDB code: 5og7 was solved by A.Metz, P.C.Klauser, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.34 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.883, 73.467, 52.114, 90.00, 109.40, 90.00
R / Rfree (%)	16.2 / 21.1

The binding sites of Chlorine atom in the Endothiapepsin in Complex with Hydrazide Fragment (pdb code 5og7). 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 Endothiapepsin in Complex with Hydrazide Fragment, PDB code: 5og7:

Chlorine binding site 1 out of 1 in the Endothiapepsin in Complex with Hydrazide Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Endothiapepsin in Complex with Hydrazide Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:27.8 occ:1.00 CL A:FLK402 0.0 27.8 1.0 C2 A:FLK402 1.8 27.2 1.0 C1 A:FLK402 2.7 20.6 1.0 HG21 A:ILE302 3.1 27.2 1.0 HD11 A:ILE217 3.2 21.8 1.0 HD11 A:ILE304 3.2 21.8 1.0 HD13 A:ILE217 3.5 21.8 1.0 HD13 A:ILE304 3.7 21.8 1.0 CD1 A:ILE217 3.8 18.2 1.0 HZ A:PHE194 3.8 23.6 1.0 CG2 A:ILE302 3.9 22.7 1.0 CD1 A:ILE304 3.9 18.2 1.0 HG23 A:ILE302 4.0 27.2 1.0 HG22 A:ILE302 4.0 27.2 1.0 HG12 A:ILE304 4.0 15.5 1.0 C A:FLK402 4.1 18.4 1.0 CZ A:PHE194 4.1 19.6 1.0 HD12 A:ILE217 4.3 21.8 1.0 HE2 A:PHE194 4.3 19.9 1.0 CE2 A:PHE194 4.3 16.5 1.0 HA3 A:GLY80 4.4 30.2 1.0 O A:HOH747 4.4 38.2 1.0 CG1 A:ILE304 4.5 12.9 1.0 CE1 A:PHE194 4.7 16.7 1.0 O A:FLK402 4.7 22.3 1.0 HD12 A:ILE304 4.7 21.8 1.0 OD1 A:ASP219 4.8 17.1 1.0 HE1 A:PHE194 4.8 20.1 1.0 HG12 A:ILE217 4.9 22.2 1.0 N A:FLK402 4.9 19.3 1.0 HG13 A:ILE304 4.9 15.5 1.0 H A:GLY80 5.0 28.8 1.0

A.Metz, P.C.Klauser, M.Rudek, B.Schmitz, H.Gohlke, A.Heine, G.Klebe. Endothiapepsin in Complex with Hydrazide Fragment To Be Published.