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Potassium in PDB 4x6j: Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors.

Enzymatic activity of Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors.

All present enzymatic activity of Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors.:
3.4.22.38;

Protein crystallography data

The structure of Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors., PDB code: 4x6j was solved by J.Borisek, B.Mohar, M.Vizovisek, P.Sosnowski, D.Turk, B.Turk, M.Novic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.99 / 1.59
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.219, 44.403, 51.354, 90.00, 116.42, 90.00
R / Rfree (%) 18.3 / 23.8

Other elements in 4x6j:

The structure of Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors. also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors. (pdb code 4x6j). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors., PDB code: 4x6j:

Potassium binding site 1 out of 1 in 4x6j

Go back to Potassium Binding Sites List in 4x6j
Potassium binding site 1 out of 1 in the Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K303

b:37.6
occ:1.00
 O A:ALA197 2.8 16.0 1.0
O A:ALA203 2.8 14.7 1.0
O A:HOH551 2.9 17.6 1.0
CB A:MET196 3.4 12.4 1.0
N A:ALA197 3.5 16.0 1.0
CB A:ALA203 3.6 15.4 1.0
C A:ALA203 3.6 16.8 1.0
C A:ALA197 3.8 16.9 1.0
C A:MET196 3.8 14.0 1.0
CE A:MET196 3.8 14.0 1.0
CB A:ILE206 4.0 17.1 1.0
CA A:ALA203 4.1 16.2 1.0
CA A:ALA197 4.1 16.9 1.0
CA A:MET196 4.1 12.6 1.0
CG2 A:ILE206 4.1 17.5 1.0
O A:HOH518 4.3 15.6 1.0
O A:MET196 4.3 14.2 1.0
N A:ALA203 4.4 16.9 1.0
CB A:ALA197 4.5 17.1 1.0
CD1 A:TRP178 4.5 14.8 1.0
CB A:CYS204 4.5 18.6 1.0
CG A:MET196 4.5 12.6 1.0
CG1 A:ILE206 4.5 21.0 1.0
SD A:MET196 4.6 12.6 1.0
N A:CYS204 4.6 16.7 1.0
CD1 A:ILE206 4.7 21.6 1.0

Reference:

J.Borisek, M.Vizovisek, P.Sosnowski, B.Turk, D.Turk, B.Mohar, M.Novic. Development of N-(Functionalized Benzoyl)-Homocycloleucyl-Glycinonitriles As Potent Cathepsin K Inhibitors. J.Med.Chem. V. 58 6928 2015.
ISSN: ISSN 0022-2623
PubMed: 26280490
DOI: 10.1021/ACS.JMEDCHEM.5B00746
Page generated: Mon Aug 12 12:27:28 2024

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