Zinc in PDB 6rg3: Crystal Structure of Human Carbonic Anhydrase II in Complex with (R)- 4-(2-Benzylpiperazin-1-Yl)Benzenesulfonamide

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with (R)- 4-(2-Benzylpiperazin-1-Yl)Benzenesulfonamide

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with (R)- 4-(2-Benzylpiperazin-1-Yl)Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with (R)- 4-(2-Benzylpiperazin-1-Yl)Benzenesulfonamide, PDB code: 6rg3 was solved by M.Ferraroni, A.Angeli, C.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.09 / 1.32
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.364, 41.263, 71.918, 90.00, 104.29, 90.00
R / Rfree (%) 17.7 / 19.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with (R)- 4-(2-Benzylpiperazin-1-Yl)Benzenesulfonamide (pdb code 6rg3). 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 Crystal Structure of Human Carbonic Anhydrase II in Complex with (R)- 4-(2-Benzylpiperazin-1-Yl)Benzenesulfonamide, PDB code: 6rg3:

Zinc binding site 1 out of 1 in 6rg3

Go back to Zinc Binding Sites List in 6rg3
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with (R)- 4-(2-Benzylpiperazin-1-Yl)Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Carbonic Anhydrase II in Complex with (R)- 4-(2-Benzylpiperazin-1-Yl)Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:10.5
occ:1.00
 N2 A:K1W303 2.0 10.4 1.0
NE2 A:HIS94 2.0 10.3 1.0
ND1 A:HIS119 2.0 10.4 1.0
NE2 A:HIS96 2.1 10.8 1.0
CE1 A:HIS119 2.9 9.5 1.0
CD2 A:HIS94 3.0 9.6 1.0
CE1 A:HIS94 3.0 11.9 1.0
CD2 A:HIS96 3.0 11.2 1.0
CE1 A:HIS96 3.1 11.2 1.0
S A:K1W303 3.1 11.2 1.0
O1 A:K1W303 3.1 11.0 1.0
CG A:HIS119 3.1 9.8 1.0
CB A:HIS119 3.6 9.5 1.0
OG1 A:THR199 3.9 10.2 1.0
OE1 A:GLU106 4.0 11.1 1.0
C15 A:K1W303 4.0 12.5 1.0
CG A:HIS94 4.1 10.6 1.0
ND1 A:HIS94 4.1 10.8 1.0
NE2 A:HIS119 4.1 10.3 1.0
ND1 A:HIS96 4.2 10.2 1.0
CG A:HIS96 4.2 10.5 1.0
CD2 A:HIS119 4.2 9.9 1.0
O2 A:K1W303 4.2 11.6 1.0
C3 A:GOL302 4.5 19.6 1.0
C14 A:K1W303 4.7 13.1 1.0
CD A:GLU106 4.9 12.7 1.0
C16 A:K1W303 4.9 13.2 1.0

Reference:

N.Chiaramonte, S.Bua, A.Angeli, M.Ferraroni, I.Picchioni, G.Bartolucci, L.Braconi, S.Dei, E.Teodori, C.T.Supuran, M.N.Romanelli. Sulfonamides Incorporating Piperazine Bioisosteres As Potent Human Carbonic Anhydrase I, II, IV and IX Inhibitors. Bioorg.Chem. V. 91 03130 2019.
ISSN: ISSN 0045-2068
PubMed: 31374520
DOI: 10.1016/J.BIOORG.2019.103130
Page generated: Tue Oct 29 06:33:02 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