Zinc in PDB 7nzw: Crystal Structure of Chimeric Carbonic Anhydrase Va with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide

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

All present enzymatic activity of Crystal Structure of Chimeric Carbonic Anhydrase Va 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 Va with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide, PDB code: 7nzw 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) 69.28 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.222, 41.289, 71.468, 90, 104.2, 90
R / Rfree (%) 17.2 / 20.6

Other elements in 7nzw:

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

Fluorine (F) 8 atoms
Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Chimeric Carbonic Anhydrase Va with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide (pdb code 7nzw). 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 Va with 4-[(4,6- Dimethylpyrimidin-2-Yl)Thio]-2,3,5,6-Tetrafluorobenzenesulfonamide, PDB code: 7nzw:

Zinc binding site 1 out of 1 in 7nzw

Go back to Zinc Binding Sites List in 7nzw
Zinc binding site 1 out of 1 in the Crystal Structure of Chimeric Carbonic Anhydrase Va 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 Va 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:9.8
occ:1.00
 N23 A:V50302 1.9 10.8 0.5
N23 A:V50302 2.0 11.0 0.5
NE2 A:HIS94 2.0 9.2 1.0
NE2 A:HIS96 2.0 9.8 1.0
ND1 A:HIS119 2.0 10.0 1.0
CE1 A:HIS119 2.9 8.6 1.0
CD2 A:HIS94 3.0 9.9 1.0
CD2 A:HIS96 3.0 9.6 1.0
O9 A:V50302 3.0 10.0 0.5
S7 A:V50302 3.0 9.9 0.5
CE1 A:HIS96 3.0 10.0 1.0
O9 A:V50302 3.0 9.8 0.5
CE1 A:HIS94 3.1 9.9 1.0
S7 A:V50302 3.1 10.8 0.5
CG A:HIS119 3.2 8.8 1.0
F11 A:V50302 3.3 20.2 0.5
CB A:HIS119 3.6 8.7 1.0
C5 A:V50302 3.9 13.7 0.5
OE1 A:GLU106 3.9 10.0 1.0
OG1 A:THR198 3.9 9.3 1.0
C6 A:V50302 3.9 16.9 0.5
O8 A:V50302 4.0 10.0 0.5
NE2 A:HIS119 4.1 9.0 1.0
CG A:HIS94 4.1 10.0 1.0
CG A:HIS96 4.2 10.0 1.0
ND1 A:HIS96 4.2 10.0 1.0
ND1 A:HIS94 4.2 9.9 1.0
CD2 A:HIS119 4.2 9.3 1.0
C5 A:V50302 4.3 12.2 0.5
O8 A:V50302 4.3 8.7 0.5
CD A:GLU106 4.8 9.5 1.0
CH2 A:TRP208 5.0 9.1 1.0

Reference:

A.Smirnov, A.Smirnov, E.Manakova, S.Grazulis. N/A N/A.
Page generated: Wed Oct 30 08:07:05 2024

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