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Mercury in PDB 1zh9: Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor

Enzymatic activity of Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor

All present enzymatic activity of Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor, PDB code: 1zh9 was solved by V.S.Honndorf, A.Heine, G.Klebe, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.270, 41.980, 72.000, 90.00, 104.43, 90.00
R / Rfree (%) 15.7 / 21.2

Other elements in 1zh9:

The structure of Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor (pdb code 1zh9). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor, PDB code: 1zh9:

Mercury binding site 1 out of 1 in 1zh9

Go back to Mercury Binding Sites List in 1zh9
Mercury binding site 1 out of 1 in the Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P- Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg700

b:21.8
occ:1.00
 HG A:BE7700 0.0 21.8 1.0
SG A:CYS206 2.0 19.5 1.0
C5 A:BE7700 2.2 20.6 1.0
C4 A:BE7700 2.8 15.1 1.0
O A:HOH2025 2.8 26.7 1.0
O A:GLN137 2.9 15.3 1.0
O A:GLU205 3.1 17.5 1.0
CB A:CYS206 3.1 21.4 1.0
C6 A:BE7700 3.3 23.7 1.0
C A:GLU205 3.4 16.7 1.0
C A:GLN137 3.4 14.1 1.0
CA A:CYS206 3.4 16.2 1.0
N A:CYS206 3.6 15.4 1.0
N A:GLN137 3.8 20.5 1.0
N A:PRO138 3.9 13.9 1.0
CA A:PRO138 4.0 16.8 1.0
O A:HOH2092 4.0 25.1 1.0
CA A:GLN137 4.1 15.1 1.0
C A:GLN136 4.1 18.3 1.0
O A:VAL135 4.2 21.7 1.0
C3 A:BE7700 4.2 26.6 1.0
N A:GLU205 4.3 12.3 1.0
O A:HOH2171 4.4 42.5 1.0
CA A:GLU205 4.4 12.8 1.0
C7 A:BE7700 4.6 22.3 1.0
CA A:GLN136 4.6 15.5 1.0
C A:VAL135 4.6 18.9 1.0
O A:GLN136 4.7 20.1 1.0
N A:GLN136 4.9 19.3 1.0
C A:CYS206 4.9 18.3 1.0
C2 A:BE7700 5.0 22.6 1.0
CD A:PRO138 5.0 18.0 1.0
C A:PRO138 5.0 15.2 1.0
C A:LEU204 5.0 13.8 1.0

Reference:

V.S.Honndorf, A.Heine, G.Klebe, C.T.Supuran. Carbonic Anhydrase II in Complex with N-4-Methyl-1-Piperazinyl-N'-(P-Sulfonamide)Phenylthiourea As Sulfonamide Inhibitor To Be Published.
Page generated: Sun Aug 11 02:07:46 2024

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