Atomistry » Zinc » PDB 3eyl-3f7i » 3f4x
Atomistry »
  Zinc »
    PDB 3eyl-3f7i »
      3f4x »

Zinc in PDB 3f4x: Carbonic Anhydrase Inhibitors. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference

Enzymatic activity of Carbonic Anhydrase Inhibitors. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference

All present enzymatic activity of Carbonic Anhydrase Inhibitors. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Inhibitors. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference, PDB code: 3f4x was solved by C.Temperini, A.Cecchi, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.390, 42.140, 72.260, 90.00, 104.29, 90.00
R / Rfree (%) 19.9 / 25.2

Other elements in 3f4x:

The structure of Carbonic Anhydrase Inhibitors. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference also contains other interesting chemical elements:

Mercury (Hg) 1 atom
Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Carbonic Anhydrase Inhibitors. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference (pdb code 3f4x). 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. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference, PDB code: 3f4x:

Zinc binding site 1 out of 1 in 3f4x

Go back to Zinc Binding Sites List in 3f4x
Zinc binding site 1 out of 1 in the Carbonic Anhydrase Inhibitors. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference


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. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules Make the Difference within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn262

b:8.1
occ:1.00
NE2 A:HIS94 2.0 6.3 1.0
N1 A:KLT300 2.0 19.9 0.7
ND1 A:HIS119 2.1 4.2 1.0
NE2 A:HIS96 2.1 5.0 1.0
O2 A:KLT300 2.9 20.6 0.7
CD2 A:HIS94 2.9 5.8 1.0
S1 A:KLT300 3.0 22.9 0.7
CE1 A:HIS119 3.0 4.7 1.0
CE1 A:HIS94 3.0 7.9 1.0
CE1 A:HIS96 3.0 5.6 1.0
CG A:HIS119 3.1 4.4 1.0
CD2 A:HIS96 3.2 4.8 1.0
CB A:HIS119 3.5 3.1 1.0
OG1 A:THR199 3.7 6.5 1.0
CG A:HIS94 4.1 6.0 1.0
ND1 A:HIS94 4.1 6.0 1.0
OE1 A:GLU106 4.1 3.4 1.0
NE2 A:HIS119 4.2 3.9 1.0
O1 A:KLT300 4.2 19.1 0.7
C1 A:KLT300 4.2 23.1 0.7
ND1 A:HIS96 4.2 4.1 1.0
CD2 A:HIS119 4.2 5.1 1.0
CG A:HIS96 4.3 4.7 1.0
O A:HOH418 4.4 21.4 1.0
C2 A:KLT300 4.4 24.1 0.7
CA A:HIS119 5.0 3.3 1.0
CD A:GLU106 5.0 4.2 1.0

Reference:

C.Temperini, A.Cecchi, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Inhibitors. Comparison of Chlorthalidone and Indapamide X-Ray Crystal Structures in Adducts with Isozyme II: When Three Water Molecules and the Keto-Enol Tautomerism Make the Difference. J.Med.Chem. V. 52 322 2009.
ISSN: ISSN 0022-2623
PubMed: 19115843
DOI: 10.1021/JM801386N
Page generated: Wed Dec 16 04:17:43 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy