Zinc in PDB 6rof: Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide, PDB code: 6rof was solved by A.Smirnov, V.Paketuryte, E.Manakova, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.16 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.350, 41.460, 71.950, 90.00, 104.26, 90.00
R / Rfree (%) 15.5 / 19.2

Other elements in 6rof:

The structure of Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 6 atoms
Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide (pdb code 6rof). 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 Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide, PDB code: 6rof:

Zinc binding site 1 out of 1 in 6rof

Go back to Zinc Binding Sites List in 6rof
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)- 3,5,6-Trifluoro-4-[(2-Hydroxyethyl)Thio]Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.0
occ:1.00
 N11 A:V90304 1.9 5.6 0.3
N11 A:V90304 2.0 6.6 0.7
NE2 A:HIS94 2.0 4.8 1.0
ND1 A:HIS119 2.0 5.5 1.0
NE2 A:HIS96 2.0 5.5 1.0
CE1 A:HIS119 3.0 4.9 1.0
CD2 A:HIS94 3.0 5.6 1.0
CD2 A:HIS96 3.0 6.2 1.0
CE1 A:HIS94 3.0 4.9 1.0
CE1 A:HIS96 3.1 6.1 1.0
O10 A:V90304 3.1 5.6 0.3
S8 A:V90304 3.1 6.2 0.3
CG A:HIS119 3.1 4.7 1.0
S8 A:V90304 3.1 8.0 0.7
F16 A:V90304 3.2 9.2 0.7
C2 A:V90304 3.5 8.8 0.7
CB A:HIS119 3.5 4.8 1.0
C3 A:V90304 3.5 7.6 0.7
O10 A:V90304 3.6 7.6 0.7
N7 A:V90304 3.8 7.9 0.3
OE1 A:GLU106 3.9 7.3 1.0
OG1 A:THR199 3.9 6.1 1.0
C26 A:V90304 4.1 8.9 0.3
NE2 A:HIS119 4.1 5.0 1.0
O9 A:V90304 4.1 5.9 0.3
CG A:HIS94 4.1 5.5 1.0
ND1 A:HIS94 4.2 5.4 1.0
CG A:HIS96 4.2 6.0 1.0
ND1 A:HIS96 4.2 5.9 1.0
CD2 A:HIS119 4.2 4.7 1.0
C3 A:V90304 4.3 7.2 0.3
O9 A:V90304 4.3 6.9 0.7
C19 A:V90304 4.4 8.9 0.3
C1 A:V90304 4.5 9.6 0.7
C4 A:V90304 4.6 9.3 0.7
C4 A:V90304 4.6 8.1 0.3
C20 A:V90304 4.8 9.1 0.3
CD A:GLU106 4.8 6.9 1.0
F17 A:V90304 5.0 12.1 0.7
CA A:HIS119 5.0 5.5 1.0

Reference:

A.Smirnov, E.Manakova, V.Paketuryte. Human Carbonic Anhydrase II Mutant T199V Bound By 2-(Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl) Thio]Benzenesulfonamide To Be Published.
Page generated: Wed Dec 16 12:41:04 2020

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