Chlorine in PDB 6yd3: X-Ray Structure of Furin in Complex with the Canavanine Derived Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Arg-Amba

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

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

Protein crystallography data

The structure of X-Ray Structure of Furin in Complex with the Canavanine Derived Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Arg-Amba, PDB code: 6yd3 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) 43.06 / 2.00
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.561, 131.561, 155.3, 90, 90, 120
R / Rfree (%) 16 / 18.5

Other elements in 6yd3:

The structure of X-Ray Structure of Furin in Complex with the Canavanine Derived Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Arg-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 Derived Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Arg-Amba (pdb code 6yd3). 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 Derived Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Arg-Amba, PDB code: 6yd3:

Chlorine binding site 1 out of 1 in 6yd3

Go back to Chlorine Binding Sites List in 6yd3
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin in Complex with the Canavanine Derived Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Arg-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 Derived Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Arg-Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:24.6
occ:1.00
HZ2 A:LYS449 2.2 29.3 1.0
HH A:TYR571 2.3 29.2 1.0
HD2 A:LYS449 3.0 32.0 1.0
HE2 A:PHE275 3.1 50.9 1.0
NZ A:LYS449 3.1 24.4 1.0
HE1 A:TYR571 3.1 36.0 1.0
OH A:TYR571 3.2 24.3 1.0
HZ1 A:LYS449 3.4 29.3 1.0
HZ3 A:LYS449 3.6 29.3 1.0
O A:HOH828 3.6 42.9 1.0
HE3 A:LYS449 3.7 28.9 1.0
CE A:LYS449 3.7 24.0 1.0
OH A:TYR313 3.8 32.5 1.0
CD A:LYS449 3.8 26.6 1.0
CE1 A:TYR571 3.8 30.0 1.0
HH A:TYR313 3.9 39.0 1.0
CZ A:TYR571 3.9 24.9 1.0
CE2 A:PHE275 4.0 42.3 1.0
O A:HOH1009 4.1 22.5 1.0
HD3 A:LYS449 4.2 32.0 1.0
HH12 A:ARG490 4.3 26.3 1.0
HZ A:PHE275 4.6 44.1 1.0
HE2 A:LYS449 4.7 28.9 1.0
CZ A:PHE275 4.8 36.7 1.0
HD2 A:PHE275 4.8 70.9 1.0
HG3 A:LYS449 4.9 25.9 1.0
CD2 A:PHE275 4.9 59.1 1.0
CG A:LYS449 5.0 21.5 1.0
NH1 A:ARG490 5.0 21.9 1.0
HD11 A:ILE312 5.0 32.3 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: Wed Mar 3 12:55:30 2021

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy