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Zinc in PDB 6ypw: Crystal Structure For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2,3-Triazol-4-Yl)Methoxy) Benzenesulfonamide

Enzymatic activity of Crystal Structure For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2,3-Triazol-4-Yl)Methoxy) Benzenesulfonamide

All present enzymatic activity of Crystal Structure For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2,3-Triazol-4-Yl)Methoxy) Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2,3-Triazol-4-Yl)Methoxy) Benzenesulfonamide, PDB code: 6ypw was solved by A.Angeli, M.Ferraroni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.09 / 1.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.387, 41.358, 72.075, 90, 104.39, 90
R / Rfree (%) 11.4 / 13.2

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2,3-Triazol-4-Yl)Methoxy) Benzenesulfonamide (pdb code 6ypw). 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 For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2,3-Triazol-4-Yl)Methoxy) Benzenesulfonamide, PDB code: 6ypw:

Zinc binding site 1 out of 1 in 6ypw

Go back to Zinc Binding Sites List in 6ypw
Zinc binding site 1 out of 1 in the Crystal Structure For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2,3-Triazol-4-Yl)Methoxy) 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 For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin- 1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2,3-Triazol-4-Yl)Methoxy) Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:5.8
occ:1.00
 N4 A:P75302 1.9 5.9 1.0
NE2 A:HIS94 2.0 5.8 1.0
ND1 A:HIS119 2.0 6.0 1.0
NE2 A:HIS96 2.0 6.2 1.0
CE1 A:HIS119 2.9 5.8 1.0
CD2 A:HIS94 3.0 6.1 1.0
O3 A:P75302 3.0 6.8 1.0
CD2 A:HIS96 3.0 6.1 1.0
CE1 A:HIS94 3.0 5.9 1.0
S A:P75302 3.0 6.3 1.0
CE1 A:HIS96 3.1 6.7 1.0
CG A:HIS119 3.1 5.5 1.0
CB A:HIS119 3.6 5.5 1.0
O A:HOH574 3.7 12.5 1.0
OG1 A:THR199 3.9 6.4 1.0
OE1 A:GLU106 4.0 6.6 1.0
O2 A:P75302 4.1 6.5 1.0
NE2 A:HIS119 4.1 6.2 1.0
ND1 A:HIS94 4.1 6.2 1.0
CG A:HIS94 4.2 5.8 1.0
ND1 A:HIS96 4.2 7.1 1.0
CG A:HIS96 4.2 6.1 1.0
C12 A:P75302 4.2 7.0 1.0
CD2 A:HIS119 4.2 5.9 1.0
C13 A:P75302 4.8 8.0 1.0
CD A:GLU106 4.9 6.5 1.0

Reference:

A.Angeli, M.Ferraroni. Crystal Structure For the Complex of Human Carbonic Anhydrase II and 4-((1-(2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-3, 4-Dihydropyrimidin-1(2H)-Yl)Tetrahydrofuran-3-Yl)-1H-1,2, 3-Triazol-4-Yl)Methoxy)Benzenesulfonamide To Be Published.
Page generated: Tue Oct 29 15:14:08 2024

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