Chlorine in PDB 7o1y: X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl

Enzymatic activity of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl, PDB code: 7o1y 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) 45.94 / 1.70
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.058, 131.058, 156.451, 90, 90, 120
R / Rfree (%) 16.2 / 17.7

Other elements in 7o1y:

The structure of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl also contains other interesting chemical elements:

Sodium (Na) 2 atoms
Calcium (Ca) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl (pdb code 7o1y). 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 in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl, PDB code: 7o1y:

Chlorine binding site 1 out of 1 in 7o1y

Go back to Chlorine Binding Sites List in 7o1y
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl


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 in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl609

b:23.7
occ:1.00
 HZ2 A:LYS449 2.2 28.3 1.0
HH A:TYR571 2.3 26.5 1.0
HD2 A:LYS449 3.0 26.3 1.0
HE1 A:TYR571 3.1 24.9 1.0
NZ A:LYS449 3.1 23.5 1.0
OH A:TYR571 3.1 22.1 1.0
O A:HOH718 3.3 24.4 0.7
HZ1 A:LYS449 3.4 28.3 1.0
HE2 A:PHE275 3.5 16.4 0.5
HZ3 A:LYS449 3.6 28.3 1.0
HE3 A:LYS449 3.6 24.9 1.0
OH A:TYR313 3.7 30.7 1.0
CE A:LYS449 3.7 20.8 1.0
HH A:TYR313 3.7 36.8 1.0
CE1 A:TYR571 3.8 20.7 1.0
CD A:LYS449 3.8 21.9 1.0
O A:HOH1000 3.9 15.6 0.4
CZ A:TYR571 3.9 21.6 1.0
HD3 A:LYS449 4.3 26.3 1.0
HH12 A:ARG490 4.3 26.3 1.0
CE2 A:PHE275 4.4 13.6 0.5
O A:HOH1000 4.5 14.2 0.6
H12 A:DMS611 4.6 50.4 0.3
HE2 A:LYS449 4.7 24.9 1.0
HD2 A:PHE275 4.8 26.4 0.5
HG3 A:LYS449 4.9 24.3 1.0
CG A:LYS449 4.9 20.2 1.0
HD11 A:ILE312 5.0 27.0 1.0
HB2 A:LYS449 5.0 25.3 1.0

Reference:

S.O.Dahms, T.Haider, G.Klebe, T.Steinmetzer, H.Brandstetter. Off-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol. 2021.
ISSN: ESSN 1554-8937
PubMed: 34415722
DOI: 10.1021/ACSCHEMBIO.1C00411
Page generated: Fri Sep 24 12:58:48 2021

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