Chlorine in PDB 8kdu: Crystal Structure of Trypsin with Its Substrate

All present enzymatic activity of Crystal Structure of Trypsin with Its Substrate:
3.4.21.4;

The structure of Crystal Structure of Trypsin with Its Substrate, PDB code: 8kdu was solved by Z.Akbar, M.S.Ahmad, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.83 / 2.30
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	131.116, 131.116, 71.424, 90, 90, 120
R / Rfree (%)	14.6 / 19.8

The structure of Crystal Structure of Trypsin with Its Substrate also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Trypsin with Its Substrate (pdb code 8kdu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Trypsin with Its Substrate, PDB code: 8kdu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Trypsin with Its Substrate


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 with Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:31.0 occ:1.00 N A:CYS128 3.5 14.0 1.0 SG A:CYS128 4.1 11.5 1.0 CA A:SER127 4.2 15.6 1.0 CB A:CYS128 4.2 12.3 1.0 CB A:SER127 4.2 15.9 1.0 C A:SER127 4.3 14.3 1.0 CA A:CYS128 4.5 13.4 1.0 O A:CYS128 4.8 14.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Trypsin with Its Substrate


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 with Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:35.0 occ:1.00 N A:GLY174 3.6 14.0 1.0 O A:HOH425 3.8 16.7 1.0 O A:HOH418 3.9 20.7 1.0 CA A:GLY174 4.1 14.1 1.0 CD A:LYS169 4.5 24.1 1.0 C A:PRO173 4.6 13.8 1.0 CA A:PRO173 4.6 13.6 1.0 CB A:LYS169 4.8 18.5 1.0 CG A:LYS169 4.8 22.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Trypsin with Its Substrate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Trypsin with Its Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:20.6 occ:1.00 O A:HOH516 3.2 18.1 1.0 O A:HOH505 3.3 25.8 1.0 N A:ASP165 3.4 14.1 1.0 CA A:SER164 3.9 12.2 1.0 CB A:ASP165 4.1 19.6 1.0 CB A:ALA132 4.1 9.7 1.0 C A:SER164 4.2 12.7 1.0 CA A:ASP165 4.4 17.0 1.0 CB A:SER164 4.5 11.7 1.0 N A:ALA132 4.9 9.7 1.0

Z.Akbar, M.S.Ahmad. Crystal Structure of Trypsin with Its Substrate To Be Published.