Chlorine in PDB 7jwx: Crystal Structure of Trypsin Bound O-Methyl Benzamidine

All present enzymatic activity of Crystal Structure of Trypsin Bound O-Methyl Benzamidine:
3.4.21.4;

The structure of Crystal Structure of Trypsin Bound O-Methyl Benzamidine, PDB code: 7jwx was solved by C.Packianathan, A.Laganowsky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.58 / 2.38
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	189.27, 70.32, 137.74, 90, 133, 90
R / Rfree (%)	21.2 / 25.5

The structure of Crystal Structure of Trypsin Bound O-Methyl Benzamidine also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Trypsin Bound O-Methyl Benzamidine (pdb code 7jwx). 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 Trypsin Bound O-Methyl Benzamidine, PDB code: 7jwx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Trypsin Bound O-Methyl Benzamidine


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 Trypsin Bound O-Methyl Benzamidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:41.7 occ:1.00 O B:HOH495 3.1 32.6 1.0 O B:HOH501 3.3 45.7 1.0 N B:GLY154 3.5 33.0 1.0 O B:HOH415 3.6 36.6 1.0 CA B:GLY154 4.1 31.0 1.0 CB B:LYS149 4.5 32.0 1.0 C B:PRO153 4.5 30.8 1.0 CA B:PRO153 4.6 32.4 1.0 CD B:LYS149 4.7 39.0 1.0 CG B:LYS149 4.7 30.8 1.0 O B:LYS149 4.9 33.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Trypsin Bound O-Methyl Benzamidine


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 Trypsin Bound O-Methyl Benzamidine within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl305 b:56.9 occ:1.00 OH D:TYR5 3.8 26.7 1.0 O D:CYS7 3.9 38.0 1.0 OG1 D:THR11 4.1 31.6 1.0 CB D:THR11 4.3 33.5 1.0 CE2 D:TYR5 4.4 26.1 1.0 SG D:CYS137 4.5 28.0 1.0 CZ D:TYR5 4.6 27.7 1.0 CA D:CYS7 4.6 31.5 1.0 C D:CYS7 4.7 28.6 1.0 CB D:CYS7 4.8 32.5 1.0 O D:THR11 5.0 31.9 1.0

R.Y.Lyu, S.Joy, C.Packianathan, A.Laganowsky, K.Burgess. Small Molecule Peptidomimetic Trypsin Inhibitors: Validation of An Eko Binding Mode, But with A Twist To Be Published.