Chlorine in PDB 8b4x: X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol

Enzymatic activity of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol

All present enzymatic activity of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol, PDB code: 8b4x 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) 46.06 / 1.60
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 132.049, 132.049, 155.492, 90, 90, 120
R / Rfree (%) 15.8 / 17

Other elements in 8b4x:

The structure of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol (pdb code 8b4x). 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 Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol, PDB code: 8b4x:

Chlorine binding site 1 out of 1 in 8b4x

Go back to Chlorine Binding Sites List in 8b4x
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol


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 Guanidinomethyl-Phac- R-Tle-K-6-(Aminomethyl)-3-Amino-Isoindol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl608

b:22.1
occ:1.00
 HZ2 A:LYS449 2.3 24.5 1.0
HH A:TYR571 2.4 29.0 1.0
HE2 A:PHE275 3.1 60.4 1.0
HD2 A:LYS449 3.1 24.8 1.0
HE1 A:TYR571 3.1 23.9 1.0
NZ A:LYS449 3.1 20.4 1.0
OH A:TYR571 3.2 24.1 1.0
HZ1 A:LYS449 3.5 24.5 1.0
O A:HOH784 3.5 30.4 1.0
HH A:TYR313 3.5 36.1 1.0
HE3 A:LYS449 3.6 21.9 1.0
HZ3 A:LYS449 3.7 24.5 1.0
CE A:LYS449 3.7 18.2 1.0
CE1 A:TYR571 3.8 19.9 1.0
CD A:LYS449 3.8 20.6 1.0
OH A:TYR313 3.8 30.0 1.0
CZ A:TYR571 4.0 20.9 1.0
CE2 A:PHE275 4.0 50.3 1.0
O A:HOH1011 4.0 19.8 0.3
HD3 A:LYS449 4.3 24.8 1.0
HH22 A:ARG490 4.3 26.6 1.0
O A:HOH1011 4.3 18.7 0.7
HZ A:PHE275 4.4 36.8 1.0
CZ A:PHE275 4.7 30.6 1.0
HE2 A:LYS449 4.7 21.9 1.0
HG3 A:LYS449 4.9 23.8 1.0
HD2 A:PHE275 4.9 60.6 1.0
HB2 A:LYS449 4.9 22.3 1.0
HD11 A:ILE312 5.0 27.0 1.0
CG A:LYS449 5.0 19.8 1.0

Reference:

S.O.Dahms, H.Brandstetter. Aminoisoindol-Based Furin Inhibitors To Be Published.
Page generated: Tue Jul 30 07:01:18 2024

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