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Chlorine in PDB 6yd4: X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Canavanine- Amba

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

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-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-Canavanine-Tle-Canavanine- Amba, PDB code: 6yd4 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) 45.98 / 1.70
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 131.685, 131.685, 155.499, 90, 90, 120
R / Rfree (%) 15.3 / 16.9

Other elements in 6yd4:

The structure of X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Canavanine- 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 Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-Tle-Canavanine- Amba (pdb code 6yd4). 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-Canavanine-Tle-Canavanine- Amba, PDB code: 6yd4:

Chlorine binding site 1 out of 1 in 6yd4

Go back to Chlorine Binding Sites List in 6yd4
Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin in Complex with the Canavanine-Based Inhibitor 4-Guanidinomethyl-Phenylacetyl-Canavanine-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-Canavanine-Tle-Canavanine- Amba within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:22.6
occ:1.00
 HZ2 A:LYS449 2.2 24.6 1.0
HH A:TYR571 2.4 30.2 1.0
HE2 A:PHE275 2.9 72.0 1.0
HE1 A:TYR571 3.1 24.0 1.0
NZ A:LYS449 3.1 20.5 1.0
HD2 A:LYS449 3.1 23.4 1.0
OH A:TYR571 3.2 25.2 1.0
O A:HOH770 3.3 30.1 1.0
HZ1 A:LYS449 3.5 24.6 1.0
HZ3 A:LYS449 3.6 24.6 1.0
HE3 A:LYS449 3.6 23.1 1.0
HZ A:PHE275 3.7 27.3 1.0
CE2 A:PHE275 3.7 60.0 1.0
CE A:LYS449 3.8 19.3 1.0
HH A:TYR313 3.8 33.5 1.0
OH A:TYR313 3.8 27.9 1.0
CE1 A:TYR571 3.8 20.0 1.0
CD A:LYS449 3.9 19.5 1.0
CZ A:TYR571 4.0 22.4 1.0
CZ A:PHE275 4.1 22.7 1.0
O A:HOH1037 4.3 25.3 1.0
HH12 A:ARG490 4.3 28.3 1.0
HD3 A:LYS449 4.3 23.4 1.0
HE2 A:LYS449 4.7 23.1 1.0
HG3 A:LYS449 4.9 25.2 1.0
CD2 A:PHE275 5.0 70.4 1.0
HD11 A:ILE312 5.0 25.3 1.0
HB2 A:LYS449 5.0 22.9 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 17:38:23 2024

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