Atomistry » Chlorine » PDB 4wxp-4x97 » 4x6j
Atomistry »
  Chlorine »
    PDB 4wxp-4x97 »
      4x6j »

Chlorine 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:

Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors., PDB code: 4x6j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4x6j

Go back to Chlorine Binding Sites List in 4x6j
Chlorine binding site 1 out of 2 in the Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl302

b:36.6
occ:1.00
 N A:CYS96 3.0 15.3 1.0
O A:HOH402 3.1 30.4 1.0
O A:HOH447 3.3 15.2 1.0
O2 A:GOL301 3.3 31.2 1.0
O1 A:GOL301 3.5 40.9 1.0
CB A:CYS96 3.7 16.8 1.0
CB A:SER95 3.7 18.2 0.4
CA A:SER95 3.9 17.0 0.4
CA A:SER95 3.9 18.2 0.6
C A:SER95 3.9 15.4 1.0
CB A:SER95 3.9 21.1 0.6
CA A:CYS96 3.9 15.5 1.0
OG A:SER95 4.0 18.2 0.4
O A:CYS96 4.1 20.0 1.0
O A:HOH502 4.2 29.4 1.0
C1 A:GOL301 4.4 37.1 1.0
C2 A:GOL301 4.4 37.5 1.0
C A:CYS96 4.5 16.6 1.0
OG A:SER95 4.9 24.5 0.6

Chlorine binding site 2 out of 2 in 4x6j

Go back to Chlorine Binding Sites List in 4x6j
Chlorine binding site 2 out of 2 in the Development of N-(Functionalized Benzoyl)-Homocycloleucyl- Glycinonitriles As Potent Cathepsin K Inhibitors.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 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:Cl307

b:27.3
occ:1.00
 CL2 A:3Y2307 0.0 27.3 1.0
C18 A:3Y2307 1.8 20.4 1.0
C19 A:3Y2307 2.7 19.9 1.0
C17 A:3Y2307 2.8 19.9 1.0
O A:GLU59 3.7 14.7 1.0
C20 A:3Y2307 4.0 19.0 1.0
C16 A:3Y2307 4.0 21.0 1.0
CA A:ASN60 4.1 11.9 1.0
O A:HOH614 4.2 38.7 1.0
N A:ASP61 4.3 13.1 1.0
O A:HOH494 4.3 31.3 1.0
OD1 A:ASN60 4.3 11.3 1.0
C A:ASN60 4.4 13.8 1.0
C15 A:3Y2307 4.6 18.2 1.0
CB A:ASP61 4.6 15.1 1.0
O A:GLY65 4.6 13.7 1.0
CA A:GLY66 4.7 11.5 1.0
C A:GLU59 4.7 14.8 1.0
N A:ASN60 4.9 12.6 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: Fri Jul 11 22:46:25 2025

Last articles

Na in 1YJN
Na in 1YY6
Na in 1YJW
Na in 1Z1Q
Na in 1YYG
Na in 1YYA
Na in 1YJ9
Na in 1YX1
Na in 1YVM
Na in 1YQ2
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy