Chlorine in PDB 5pat: Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide

All present enzymatic activity of Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide:
3.4.21.21;

The structure of Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide, PDB code: 5pat was solved by M.Stihle, A.Mayweg, S.Roever, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.11 / 1.60
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.160, 95.160, 116.130, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.7

The binding sites of Chlorine atom in the Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide (pdb code 5pat). 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 Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide, PDB code: 5pat:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide


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 Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:35.7 occ:0.70 CL1 B:7ZG501 0.0 35.7 0.7 C19 B:7ZG501 1.6 30.1 0.3 C17 B:7ZG501 1.7 36.2 0.7 C21 B:7ZG501 1.9 29.9 0.3 C21 B:7ZG501 2.7 36.5 0.7 C15 B:7ZG501 2.7 35.8 0.7 C20 B:7ZG501 2.9 30.3 0.3 OD2 B:ASP302 3.2 16.0 1.0 C17 B:7ZG501 3.3 30.0 0.3 ND1 B:HIS253 3.4 16.6 1.0 CA B:THR299 3.7 22.3 1.0 OG B:SER423 3.8 18.2 1.0 CG B:HIS253 3.8 16.5 1.0 O B:SER423 3.8 19.4 1.0 CG2 B:THR299 3.8 22.6 1.0 O B:THR298 3.8 23.5 1.0 CG B:ASP302 3.9 15.4 1.0 CB B:HIS253 4.0 16.0 1.0 C14 B:7ZG501 4.0 30.9 0.3 C19 B:7ZG501 4.0 36.9 0.7 CB B:TRP424 4.0 23.0 1.0 C14 B:7ZG501 4.0 36.1 0.7 CE1 B:HIS253 4.1 17.3 1.0 C15 B:7ZG501 4.1 30.2 0.3 CD1 B:TRP424 4.1 24.7 1.0 CB B:THR299 4.1 22.9 1.0 O B:THR299 4.3 22.3 1.0 CG B:TRP424 4.3 24.1 1.0 C B:SER423 4.3 19.4 1.0 O B:HOH744 4.4 28.3 1.0 CL1 B:7ZG501 4.5 28.8 0.3 C B:THR298 4.5 23.5 1.0 C20 B:7ZG501 4.5 36.7 0.7 C B:THR299 4.5 22.5 1.0 CB B:ASP302 4.5 15.5 1.0 N B:THR299 4.5 23.2 1.0 OD1 B:ASP302 4.6 15.0 1.0 CD2 B:HIS253 4.6 16.7 1.0 NE2 B:HIS253 4.7 16.9 1.0 N B:TRP424 4.9 21.0 1.0 CB B:SER423 4.9 17.9 1.0 CA B:SER423 5.0 18.1 1.0 CA B:TRP424 5.0 22.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide


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 Factor Viia in Complex with N-(2-Amino-1H- Benzimidazol-5-Yl)-2-(3-Chlorophenyl)Acetamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:28.8 occ:0.30 CL1 B:7ZG501 0.0 28.8 0.3 C19 B:7ZG501 1.5 36.9 0.7 C17 B:7ZG501 1.7 30.0 0.3 C21 B:7ZG501 1.9 36.5 0.7 C21 B:7ZG501 2.7 29.9 0.3 C15 B:7ZG501 2.7 30.2 0.3 C20 B:7ZG501 2.8 36.7 0.7 O B:GLY297 2.9 24.7 1.0 C17 B:7ZG501 3.3 36.2 0.7 C B:GLY297 3.4 23.9 1.0 O B:HOH744 3.4 28.3 1.0 C14 B:7ZG501 3.8 36.1 0.7 N B:THR298 3.8 23.6 1.0 CA B:THR298 3.9 23.8 1.0 C B:THR298 3.9 23.5 1.0 O B:THR298 3.9 23.5 1.0 C19 B:7ZG501 4.0 30.1 0.3 C14 B:7ZG501 4.0 30.9 0.3 C15 B:7ZG501 4.0 35.8 0.7 CA B:GLY297 4.2 23.8 1.0 CG2 B:THR299 4.3 22.6 1.0 CL1 B:7ZG501 4.5 35.7 0.7 C20 B:7ZG501 4.5 30.3 0.3 N B:THR299 4.6 23.2 1.0

A.Mayweg, S.Roever, M.G.Rudolph. Crystal Structure of A Factor Viia Complex To Be Published.