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Chlorine in PDB 8b4w: X-Ray Structure of Furin (PCSK3) in Complex with 1H-Isoindol-3-Amine

Enzymatic activity of X-Ray Structure of Furin (PCSK3) in Complex with 1H-Isoindol-3-Amine

All present enzymatic activity of X-Ray Structure of Furin (PCSK3) in Complex with 1H-Isoindol-3-Amine:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin (PCSK3) in Complex with 1H-Isoindol-3-Amine, PDB code: 8b4w 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) 46.03 / 1.60
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.959, 131.959, 155.34, 90, 90, 120
R / Rfree (%) 16.6 / 17.9

Other elements in 8b4w:

The structure of X-Ray Structure of Furin (PCSK3) in Complex with 1H-Isoindol-3-Amine also contains other interesting chemical elements:

Sodium (Na) 4 atoms
Calcium (Ca) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Furin (PCSK3) in Complex with 1H-Isoindol-3-Amine (pdb code 8b4w). 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 1H-Isoindol-3-Amine, PDB code: 8b4w:

Chlorine binding site 1 out of 1 in 8b4w

Go back to Chlorine Binding Sites List in 8b4w
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin (PCSK3) in Complex with 1H-Isoindol-3-Amine


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 1H-Isoindol-3-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl611

b:20.6
occ:1.00
 HZ1 A:LYS449 2.3 23.4 1.0
HH A:TYR571 2.4 23.9 1.0
HD2 A:LYS449 3.1 24.1 1.0
HE1 A:TYR571 3.1 21.6 1.0
OH A:TYR571 3.1 19.9 1.0
NZ A:LYS449 3.2 19.5 1.0
O A:HOH871 3.4 28.0 1.0
HZ3 A:LYS449 3.6 23.4 1.0
HH A:TYR313 3.6 30.3 1.0
HZ A:PHE275 3.6 26.5 0.0
HE3 A:LYS449 3.6 22.6 1.0
HZ2 A:LYS449 3.7 23.4 1.0
OH A:TYR313 3.8 25.2 1.0
HE2 A:PHE275 3.8 25.9 0.0
CE A:LYS449 3.8 18.8 1.0
CE1 A:TYR571 3.8 18.0 1.0
CD A:LYS449 3.8 20.1 1.0
CZ A:TYR571 3.9 19.1 1.0
CZ A:PHE275 4.1 22.0 0.0
CE2 A:PHE275 4.2 21.5 0.0
HH22 A:ARG490 4.3 23.2 1.0
HD3 A:LYS449 4.3 24.1 1.0
O A:HOH1021 4.5 21.6 1.0
HE2 A:LYS449 4.7 22.6 1.0
HG3 A:LYS449 4.9 21.7 1.0
CG A:LYS449 5.0 18.1 1.0
HB2 A:LYS449 5.0 24.7 1.0

Reference:

S.O.Dahms, H.Brandstetter. Aminoisoindol-Based Furin Inhibitors To Be Published.
Page generated: Thu Dec 28 03:02:13 2023

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