Chlorine in PDB 6hzb: X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba

Enzymatic activity of X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba, PDB code: 6hzb was solved by S.O.Dahms, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.08 / 1.90
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.616, 131.616, 155.565, 90.00, 90.00, 120.00
R / Rfree (%) 16.5 / 18.2

Other elements in 6hzb:

The structure of X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba (pdb code 6hzb). 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 Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba, PDB code: 6hzb:

Chlorine binding site 1 out of 1 in 6hzb

Go back to Chlorine Binding Sites List in 6hzb
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin in Complex with the Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba


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 Cyclic Inhibitor C[Glutaryl-Arg-Arg-Lys]-Lys-4-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:22.8
occ:1.00
 NZ A:LYS449 3.1 20.2 1.0
OH A:TYR571 3.2 23.7 1.0
O A:HOH726 3.3 29.3 1.0
CE A:LYS449 3.8 22.1 1.0
CE1 A:TYR571 3.8 18.1 1.0
OH A:TYR313 3.8 26.8 1.0
CD A:LYS449 3.8 22.2 1.0
CE2 A:PHE275 3.9 45.8 1.0
CZ A:TYR571 4.0 21.0 1.0
O A:HOH1019 4.1 23.1 1.0
CZ A:PHE275 4.6 25.4 1.0
CD2 A:PHE275 4.9 49.3 1.0

Reference:

T.Van Lam Van, T.Ivanova, K.Hardes, M.R.Heindl, R.E.Morty, E.Bottcher-Friebertshauser, I.Lindberg, M.E.Than, S.O.Dahms, T.Steinmetzer. Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem V. 14 673 2019.
ISSN: ESSN 1860-7187
PubMed: 30680958
DOI: 10.1002/CMDC.201800807
Page generated: Sat Dec 12 13:09:13 2020

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