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

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

All present enzymatic activity of X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- Can-Tle-Can-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- Can-Tle-Can-6-(Aminomethyl)-3-Amino-Isoindol, PDB code: 8oyh 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) 40.53 / 1.80
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.245, 131.245, 154.618, 90, 90, 120
R / Rfree (%) 17.4 / 18.8

Other elements in 8oyh:

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

Sodium (Na) 3 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 Guanidinomethyl-Phac- Can-Tle-Can-6-(Aminomethyl)-3-Amino-Isoindol (pdb code 8oyh). 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- Can-Tle-Can-6-(Aminomethyl)-3-Amino-Isoindol, PDB code: 8oyh:

Chlorine binding site 1 out of 1 in 8oyh

Go back to Chlorine Binding Sites List in 8oyh
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin (PCSK3) in Complex with Guanidinomethyl-Phac- Can-Tle-Can-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- Can-Tle-Can-6-(Aminomethyl)-3-Amino-Isoindol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:31.1
occ:1.00
 HZ1 A:LYS449 2.3 32.3 1.0
HH A:TYR571 2.4 34.7 1.0
HD2 A:LYS449 3.0 36.5 1.0
HE2 A:PHE275 3.0 55.8 1.0
HE1 A:TYR571 3.1 33.2 1.0
NZ A:LYS449 3.1 26.9 1.0
OH A:TYR571 3.2 28.9 1.0
O A:HOH767 3.4 37.0 1.0
HZ3 A:LYS449 3.6 32.3 1.0
HZ2 A:LYS449 3.6 32.3 1.0
HE3 A:LYS449 3.7 33.2 1.0
CD A:LYS449 3.7 30.3 1.0
CE A:LYS449 3.8 27.6 1.0
CE1 A:TYR571 3.8 27.6 1.0
OH A:TYR313 3.8 33.6 1.0
HH A:TYR313 3.8 40.4 1.0
CE2 A:PHE275 3.9 46.4 1.0
CZ A:TYR571 4.0 27.4 1.0
HD3 A:LYS449 4.1 36.5 1.0
HZ A:PHE275 4.3 44.3 1.0
O A:HOH942 4.3 30.4 1.0
HH22 A:ARG490 4.4 38.0 1.0
CZ A:PHE275 4.6 36.9 1.0
HE2 A:LYS449 4.7 33.2 1.0
HD2 A:PHE275 4.9 57.9 1.0
CD2 A:PHE275 4.9 48.2 1.0
HG3 A:LYS449 4.9 32.4 1.0
CG A:LYS449 5.0 26.9 1.0
HB2 A:LYS449 5.0 32.4 1.0

Reference:

R.W.Lange, K.Bloch, M.R.Heindl, J.Wollenhaupt, M.S.Weiss, H.Brandstetter, G.Klebe, F.H.Falcone, E.Bottcher-Friebertshauser, S.O.Dahms, T.Steinmetzer. Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem 00057 2024.
ISSN: ESSN 1860-7187
PubMed: 38385828
DOI: 10.1002/CMDC.202400057
Page generated: Tue Jul 30 11:20:05 2024

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