Atomistry » Magnesium » PDB 7q7g-7qnq » 7qbm
Atomistry »
  Magnesium »
    PDB 7q7g-7qnq »
      7qbm »

Magnesium in PDB 7qbm: Structure of the Activation Intermediate of Cathepsin K in Complex with the 3-Cyano-3-Aza-Beta-Amino Acid Inhibitor GU2602

Enzymatic activity of Structure of the Activation Intermediate of Cathepsin K in Complex with the 3-Cyano-3-Aza-Beta-Amino Acid Inhibitor GU2602

All present enzymatic activity of Structure of the Activation Intermediate of Cathepsin K in Complex with the 3-Cyano-3-Aza-Beta-Amino Acid Inhibitor GU2602:
3.4.22.38;

Protein crystallography data

The structure of Structure of the Activation Intermediate of Cathepsin K in Complex with the 3-Cyano-3-Aza-Beta-Amino Acid Inhibitor GU2602, PDB code: 7qbm was solved by J.Benysek, M.Busa, M.Mares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.91 / 1.88
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 103.283, 103.283, 55.464, 90, 90, 90
R / Rfree (%) 19 / 23.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of the Activation Intermediate of Cathepsin K in Complex with the 3-Cyano-3-Aza-Beta-Amino Acid Inhibitor GU2602 (pdb code 7qbm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of the Activation Intermediate of Cathepsin K in Complex with the 3-Cyano-3-Aza-Beta-Amino Acid Inhibitor GU2602, PDB code: 7qbm:

Magnesium binding site 1 out of 1 in 7qbm

Go back to Magnesium Binding Sites List in 7qbm
Magnesium binding site 1 out of 1 in the Structure of the Activation Intermediate of Cathepsin K in Complex with the 3-Cyano-3-Aza-Beta-Amino Acid Inhibitor GU2602


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of the Activation Intermediate of Cathepsin K in Complex with the 3-Cyano-3-Aza-Beta-Amino Acid Inhibitor GU2602 within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Mg402

b:36.4
occ:1.00
 O P:HOH550 2.2 31.3 0.5
O A:HOH516 2.3 30.7 1.0
O P:HOH538 2.3 37.7 1.0
OG P:SER68 2.4 31.4 1.0
OG1 A:THR140 2.4 26.7 1.0
O A:HOH545 2.5 54.1 1.0
OE2 P:GLU69 3.2 43.6 0.5
CB P:SER68 3.3 30.7 1.0
CB A:THR140 3.7 24.9 1.0
N A:THR140 3.7 24.7 1.0
CD P:GLU69 4.0 40.9 0.5
OE1 P:GLU69 4.1 34.3 0.5
O A:HOH428 4.1 28.8 1.0
CA A:THR140 4.2 24.0 1.0
O A:HOH438 4.2 36.8 0.5
N P:SER68 4.2 30.0 1.0
CA P:SER68 4.3 33.5 1.0
O A:SER138 4.6 24.8 1.0
C A:LEU139 4.7 25.7 1.0
CG2 A:THR140 4.8 23.2 1.0
CA A:LEU139 4.9 26.0 1.0
N P:GLU69 5.0 41.7 1.0

Reference:

J.Benysek, M.Busa, P.Rubesova, J.Fanfrlik, M.Lepsik, J.Brynda, Z.Matouskova, U.Bartz, M.Horn, M.Gutschow, M.Mares. Highly Potent Inhibitors of Cathepsin K with A Differently Positioned Cyanohydrazide Warhead: Structural Analysis of Binding Mode to Mature and Zymogen-Like Enzymes. J Enzyme Inhib Med Chem V. 37 515 2022.
ISSN: ESSN 1475-6374
PubMed: 35144520
DOI: 10.1080/14756366.2021.2024527
Page generated: Thu Oct 3 05:05:18 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy