Chlorine in PDB 8b4v: X-Ray Structure of Furin (PCSK3) in Complex with Benzamidine

All present enzymatic activity of X-Ray Structure of Furin (PCSK3) in Complex with Benzamidine:
3.4.21.75;

The structure of X-Ray Structure of Furin (PCSK3) in Complex with Benzamidine, PDB code: 8b4v was solved by S.O.Dahms, H.Brandstetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.77 / 1.60
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	131.952, 131.952, 155.351, 90, 90, 120
R / Rfree (%)	15.4 / 16.6

The structure of X-Ray Structure of Furin (PCSK3) in Complex with Benzamidine also contains other interesting chemical elements:

Sodium	(Na)	3 atoms
Calcium	(Ca)	3 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Furin (PCSK3) in Complex with Benzamidine (pdb code 8b4v). 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 X-Ray Structure of Furin (PCSK3) in Complex with Benzamidine, PDB code: 8b4v:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin (PCSK3) in Complex with Benzamidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Furin (PCSK3) in Complex with Benzamidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:20.4 occ:1.00 HZ1 A:LYS449 2.3 22.7 1.0 HH A:TYR571 2.3 24.7 1.0 HD2 A:LYS449 3.1 22.1 1.0 HE1 A:TYR571 3.1 21.5 1.0 OH A:TYR571 3.1 20.5 1.0 NZ A:LYS449 3.1 18.9 1.0 HE2 A:PHE275 3.3 34.2 0.6 O A:HOH785 3.3 26.6 1.0 HZ3 A:LYS449 3.5 22.7 1.0 HH A:TYR313 3.6 32.7 1.0 HZ A:PHE275 3.6 15.5 0.6 HZ2 A:LYS449 3.6 22.7 1.0 HE3 A:LYS449 3.6 21.5 1.0 OH A:TYR313 3.7 27.2 1.0 CE A:LYS449 3.7 17.9 1.0 CE1 A:TYR571 3.8 17.9 1.0 CD A:LYS449 3.8 18.4 1.0 CE2 A:PHE275 3.9 28.5 0.6 CZ A:TYR571 3.9 19.1 1.0 CZ A:PHE275 4.0 13.0 0.6 HD3 A:LYS449 4.3 22.1 1.0 HH12 A:ARG490 4.3 21.5 1.0 O A:HOH1021 4.6 21.4 1.0 HE2 A:LYS449 4.7 21.5 1.0 HE1 A:PHE275 4.8 34.8 0.4 HG3 A:LYS449 4.9 22.2 1.0 HB2 A:LYS449 5.0 20.9 1.0 CG A:LYS449 5.0 18.5 1.0 NH1 A:ARG490 5.0 17.9 1.0

S.O.Dahms, H.Brandstetter. Aminoisoindol-Based Furin Inhibitors To Be Published.