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Zinc in PDB 6yhb: Crystal Structure of Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide

Enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide

All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide, PDB code: 6yhb was solved by A.Smirnov, E.Manakova, S.Grazulis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.32 / 1.65
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 41.964, 40.835, 70.419, 90, 103.5, 90
R / Rfree (%) 17.7 / 22.3

Other elements in 6yhb:

The structure of Crystal Structure of Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide (pdb code 6yhb). 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 Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide, PDB code: 6yhb:

Zinc binding site 1 out of 1 in 6yhb

Go back to Zinc Binding Sites List in 6yhb
Zinc binding site 1 out of 1 in the Crystal Structure of Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide


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 Chimeric Carbonic Anhydrase XII with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:19.0
occ:1.00
 N23 A:V50302 1.9 21.5 1.0
NE2 A:HIS94 1.9 18.6 1.0
ND1 A:HIS119 2.0 18.5 1.0
NE2 A:HIS96 2.1 21.1 1.0
CE1 A:HIS94 2.8 21.6 1.0
CE1 A:HIS119 3.0 19.1 1.0
O9 A:V50302 3.0 19.3 1.0
CD2 A:HIS96 3.0 19.6 1.0
CD2 A:HIS94 3.1 21.9 1.0
CG A:HIS119 3.1 19.2 1.0
S7 A:V50302 3.1 22.9 1.0
CE1 A:HIS96 3.1 20.9 1.0
CB A:HIS119 3.5 18.0 1.0
OE1 A:GLU106 3.9 21.4 1.0
OG1 A:THR199 4.0 17.4 1.0
ND1 A:HIS94 4.0 19.7 1.0
CG A:HIS94 4.1 19.9 1.0
O8 A:V50302 4.1 20.4 1.0
NE2 A:HIS119 4.1 19.6 1.0
CD2 A:HIS119 4.2 18.5 1.0
CG A:HIS96 4.2 18.6 1.0
ND1 A:HIS96 4.2 19.3 1.0
C5 A:V50302 4.2 26.8 1.0
CD A:GLU106 4.9 22.1 1.0
F11 A:V50302 4.9 35.3 1.0
CA A:HIS119 5.0 17.8 1.0
C6 A:V50302 5.0 30.9 1.0

Reference:

A.Smirnov, E.Manakova, S.Grazulis. Crystal Structure of Chimeric Carbonic Anhydrase XII with 4-[(4,6-Dimethylpyrimidin-2-Yl)Thio]-2,3,5, 6-Tetrafluorobenzenesulfonamide To Be Published.
Page generated: Tue Oct 29 15:07:00 2024

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