Atomistry » Zinc » PDB 4yn2-4z1d » 4z0q
Atomistry »
  Zinc »
    PDB 4yn2-4z1d »
      4z0q »

Zinc in PDB 4z0q: Carbonic Anhydrase Inhibitors: Design and Synthesis of New Heteroaryl- N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms (Hca VII, Hca IX, and Hca Xiv)

Enzymatic activity of Carbonic Anhydrase Inhibitors: Design and Synthesis of New Heteroaryl- N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms (Hca VII, Hca IX, and Hca Xiv)

All present enzymatic activity of Carbonic Anhydrase Inhibitors: Design and Synthesis of New Heteroaryl- N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms (Hca VII, Hca IX, and Hca Xiv):
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Inhibitors: Design and Synthesis of New Heteroaryl- N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms (Hca VII, Hca IX, and Hca Xiv), PDB code: 4z0q was solved by J.Brynda, K.Pospisilova, P.Rezacova, P.Pachl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.90 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.273, 41.697, 72.407, 90.00, 104.63, 90.00
R / Rfree (%) 14.6 / 19.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase Inhibitors: Design and Synthesis of New Heteroaryl- N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms (Hca VII, Hca IX, and Hca Xiv) (pdb code 4z0q). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Carbonic Anhydrase Inhibitors: Design and Synthesis of New Heteroaryl- N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms (Hca VII, Hca IX, and Hca Xiv), PDB code: 4z0q:

Zinc binding site 1 out of 1 in 4z0q

Go back to Zinc Binding Sites List in 4z0q
Zinc binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors: Design and Synthesis of New Heteroaryl- N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms (Hca VII, Hca IX, and Hca Xiv)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase Inhibitors: Design and Synthesis of New Heteroaryl- N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms (Hca VII, Hca IX, and Hca Xiv) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1001

b:7.1
occ:1.00
 N1 A:4K91002 2.0 6.4 1.0
NE2 A:HIS94 2.0 6.0 1.0
NE2 A:HIS96 2.0 6.4 1.0
ND1 A:HIS119 2.0 6.5 1.0
CE1 A:HIS119 2.9 5.2 1.0
CD2 A:HIS94 3.0 7.0 1.0
CD2 A:HIS96 3.0 8.1 1.0
CE1 A:HIS96 3.0 7.2 1.0
CE1 A:HIS94 3.0 6.9 1.0
O2 A:4K91002 3.0 6.4 1.0
S A:4K91002 3.1 7.3 1.0
CG A:HIS119 3.1 6.1 1.0
CB A:HIS119 3.6 6.6 1.0
O A:HOH1245 3.7 16.8 1.0
OG1 A:THR199 3.8 7.2 1.0
OE1 A:GLU106 4.0 7.0 1.0
O1 A:4K91002 4.1 5.5 1.0
NE2 A:HIS119 4.1 6.6 1.0
ND1 A:HIS94 4.1 6.4 1.0
CG A:HIS94 4.1 6.3 1.0
ND1 A:HIS96 4.2 7.8 1.0
CG A:HIS96 4.2 7.1 1.0
CD2 A:HIS119 4.2 5.9 1.0
C13 A:4K91002 4.3 8.4 1.0
CD A:GLU106 4.9 7.1 1.0
C12 A:4K91002 4.9 10.3 1.0
O A:HOH1107 5.0 29.5 1.0

Reference:

M.R.Buemi, L.De Luca, S.Ferro, E.Bruno, M.Ceruso, C.T.Supuran, K.Pospisilova, J.Brynda, P.Rezacova, R.Gitto. Carbonic Anhydrase Inhibitors: Design, Synthesis and Structural Characterization of New Heteroaryl-N-Carbonylbenzenesulfonamides Targeting Druggable Human Carbonic Anhydrase Isoforms. Eur.J.Med.Chem. V. 102 223 2015.
ISSN: ISSN 0223-5234
PubMed: 26276436
DOI: 10.1016/J.EJMECH.2015.07.049
Page generated: Sun Oct 27 11:32:44 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy