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Chlorine in PDB 6yd7: X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-Amba

Enzymatic activity of X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-Amba

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-Amba:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-Amba, PDB code: 6yd7 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) 36.77 / 1.80
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.785, 131.785, 155.354, 90, 90, 120
R / Rfree (%) 15.4 / 17.1

Other elements in 6yd7:

The structure of X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-Amba 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 Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-Amba (pdb code 6yd7). 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 Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-Amba, PDB code: 6yd7:

Chlorine binding site 1 out of 1 in 6yd7

Go back to Chlorine Binding Sites List in 6yd7
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-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 Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Arg-Tle-Canavanine-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:21.8
occ:1.00
 HZ2 A:LYS449 2.3 23.7 1.0
HH A:TYR571 2.4 27.9 1.0
HE2 A:PHE275 3.0 60.2 1.0
HD2 A:LYS449 3.0 25.5 1.0
HE1 A:TYR571 3.1 24.4 1.0
NZ A:LYS449 3.2 19.8 1.0
OH A:TYR571 3.2 23.2 1.0
O A:HOH822 3.5 32.6 1.0
HZ1 A:LYS449 3.5 23.7 1.0
HZ3 A:LYS449 3.7 23.7 1.0
HE3 A:LYS449 3.7 20.3 1.0
CE A:LYS449 3.8 16.9 1.0
CE2 A:PHE275 3.8 50.1 1.0
CD A:LYS449 3.8 21.2 1.0
OH A:TYR313 3.8 28.8 1.0
CE1 A:TYR571 3.8 20.3 1.0
HH A:TYR313 3.9 34.5 1.0
HZ A:PHE275 4.0 28.9 1.0
CZ A:TYR571 4.0 21.7 1.0
O A:HOH1035 4.2 23.3 1.0
HD3 A:LYS449 4.3 25.5 1.0
HH12 A:ARG490 4.3 25.2 1.0
CZ A:PHE275 4.3 24.0 1.0
HE2 A:LYS449 4.7 20.3 1.0
HB2 A:LYS449 4.9 21.8 1.0
CD2 A:PHE275 5.0 59.5 1.0
HD11 A:ILE312 5.0 25.5 1.0
HG3 A:LYS449 5.0 23.5 1.0

Reference:

T.Van Lam Van, M.R.Heindl, C.Schlutt, E.Bottcher-Friebertshauser, R.Bartenschlager, G.Klebe, H.Brandstetter, S.O.Dahms, T.Steinmetzer. The Basicity Makes the Difference: Improved Canavanine-Derived Inhibitors of the Proprotein Convertase Furin Acs Med.Chem.Lett. 2021.
ISSN: ISSN 1948-5875
DOI: 10.1021/ACSMEDCHEMLETT.0C00651
Page generated: Mon Jul 29 17:38:42 2024

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