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Zinc in PDB 4wl4: Crystal Structure of Human Carbonic Anhydrase II in Complex with the 6-Hydroxy-Chromene-2-Thione Inhibitor

Enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 6-Hydroxy-Chromene-2-Thione Inhibitor

All present enzymatic activity of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 6-Hydroxy-Chromene-2-Thione Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Human Carbonic Anhydrase II in Complex with the 6-Hydroxy-Chromene-2-Thione Inhibitor, PDB code: 4wl4 was solved by M.Ferraroni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.10 / 1.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.264, 41.367, 72.276, 90.00, 104.21, 90.00
R / Rfree (%) 10.9 / 13

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 6-Hydroxy-Chromene-2-Thione Inhibitor (pdb code 4wl4). 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 the 6-Hydroxy-Chromene-2-Thione Inhibitor, PDB code: 4wl4:

Zinc binding site 1 out of 1 in 4wl4

Go back to Zinc Binding Sites List in 4wl4
Zinc binding site 1 out of 1 in the Crystal Structure of Human Carbonic Anhydrase II in Complex with the 6-Hydroxy-Chromene-2-Thione Inhibitor


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 the 6-Hydroxy-Chromene-2-Thione Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:7.4
occ:1.00
 HE2 A:HIS94 1.2 7.1 1.0
HE2 A:HIS96 1.2 7.6 1.0
HD1 A:HIS119 1.3 6.8 1.0
O A:HOH771 1.9 8.3 0.8
NE2 A:HIS94 2.0 7.2 1.0
NE2 A:HIS96 2.1 7.7 1.0
ND1 A:HIS119 2.1 6.8 1.0
O A:HOH794 2.6 12.1 0.5
CE1 A:HIS119 2.9 7.1 1.0
CD2 A:HIS94 3.0 7.5 1.0
CE1 A:HIS94 3.0 7.3 1.0
HE1 A:HIS119 3.0 6.9 1.0
CD2 A:HIS96 3.0 7.1 1.0
CE1 A:HIS96 3.1 8.3 1.0
HD2 A:HIS94 3.2 7.4 1.0
CG A:HIS119 3.2 6.5 1.0
HD2 A:HIS96 3.2 7.2 1.0
HB2 A:HIS119 3.2 6.6 1.0
HE1 A:HIS96 3.2 7.9 1.0
HE1 A:HIS94 3.2 7.2 1.0
HG1 A:THR199 3.5 8.6 0.0
CB A:HIS119 3.6 6.7 1.0
O A:HOH609 3.7 13.2 1.0
OG1 A:THR199 3.8 8.3 1.0
HB3 A:HIS119 3.8 6.6 1.0
OE1 A:GLU106 4.0 7.6 1.0
NE2 A:HIS119 4.1 7.3 1.0
ND1 A:HIS94 4.1 7.6 1.0
CG A:HIS94 4.1 7.5 1.0
S1 A:FC5302 4.2 16.1 0.5
ND1 A:HIS96 4.2 8.1 1.0
CG A:HIS96 4.2 7.1 1.0
CD2 A:HIS119 4.2 6.8 1.0
HH2 A:TRP209 4.3 8.2 1.0
O A:HOH675 4.4 19.1 1.0
CAF A:FC5302 4.7 13.8 0.5
HE2 A:HIS119 4.9 7.1 1.0
H A:THR199 4.9 8.0 1.0
HG23 A:THR199 4.9 8.8 1.0
CD A:GLU106 4.9 7.2 1.0
HG23 A:THR200 4.9 11.4 1.0
HD1 A:HIS94 4.9 7.5 1.0
HD1 A:HIS96 4.9 7.8 1.0

Reference:

M.Ferraroni, C.T.Supuran, F.Carta, M.Bozdag, A.Scozzafava. New Classes of Carbonic Anhydrase Inhibitors To Be Published.
Page generated: Sun Oct 27 09:58:20 2024

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