Chlorine in PDB 7o1w: X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 1 M Nacl

Enzymatic activity of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 1 M Nacl

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 1 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 1 M Nacl, PDB code: 7o1w 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) 46.00 / 1.80
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.567, 131.567, 155.968, 90, 90, 120
R / Rfree (%) 16 / 17.9

Other elements in 7o1w:

The structure of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 1 M Nacl 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 in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 1 M Nacl (pdb code 7o1w). 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 1 M Nacl, PDB code: 7o1w:

Chlorine binding site 1 out of 1 in 7o1w

Go back to Chlorine Binding Sites List in 7o1w
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 1 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 1 M Nacl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl610

b:24.2
occ:1.00
 HZ2 A:LYS449 2.2 25.9 1.0
HH A:TYR571 2.3 26.0 1.0
HE2 A:PHE275 2.9 30.7 0.6
HD2 A:LYS449 3.0 26.9 1.0
NZ A:LYS449 3.1 21.5 1.0
OH A:TYR571 3.1 21.6 1.0
HE1 A:TYR571 3.1 23.5 1.0
O A:HOH717 3.3 29.2 1.0
HZ1 A:LYS449 3.4 25.9 1.0
HH A:TYR313 3.6 36.3 1.0
HE3 A:LYS449 3.6 24.2 1.0
HZ3 A:LYS449 3.6 25.9 1.0
OH A:TYR313 3.7 30.2 1.0
CE A:LYS449 3.7 20.1 1.0
CD A:LYS449 3.8 22.3 1.0
CE1 A:TYR571 3.8 19.5 1.0
CE2 A:PHE275 3.9 25.5 0.6
CZ A:TYR571 4.0 20.9 1.0
HD3 A:LYS449 4.2 26.9 1.0
HH12 A:ARG490 4.3 27.4 1.0
HZ A:PHE275 4.3 18.7 0.6
HE1 A:PHE275 4.5 30.7 0.4
O A:HOH954 4.5 21.1 1.0
CZ A:PHE275 4.6 15.8 0.6
HE2 A:LYS449 4.6 24.2 1.0
HD2 A:PHE275 4.8 32.9 0.6
CD2 A:PHE275 4.9 27.4 0.6
HG3 A:LYS449 4.9 21.9 1.0
CG A:LYS449 4.9 18.2 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: Tue Jul 30 01:11:37 2024

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