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Zinc in PDB 6zr8: The Crystal Structure of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4- Sulfamoylphenyl)Acetamide in Complex with Human Carbonic Anhydrase II

Enzymatic activity of The Crystal Structure of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4- Sulfamoylphenyl)Acetamide in Complex with Human Carbonic Anhydrase II

All present enzymatic activity of The Crystal Structure of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4- Sulfamoylphenyl)Acetamide in Complex with Human Carbonic Anhydrase II:
4.2.1.1;

Protein crystallography data

The structure of The Crystal Structure of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4- Sulfamoylphenyl)Acetamide in Complex with Human Carbonic Anhydrase II, PDB code: 6zr8 was solved by A.Di Fiore, G.De Simone, K.D'ambrosio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.60 / 1.79
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.26, 41.33, 71.64, 90, 104.26, 90
R / Rfree (%) 16.4 / 19.9

Zinc Binding Sites:

The binding sites of Zinc atom in the The Crystal Structure of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4- Sulfamoylphenyl)Acetamide in Complex with Human Carbonic Anhydrase II (pdb code 6zr8). 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 The Crystal Structure of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4- Sulfamoylphenyl)Acetamide in Complex with Human Carbonic Anhydrase II, PDB code: 6zr8:

Zinc binding site 1 out of 1 in 6zr8

Go back to Zinc Binding Sites List in 6zr8
Zinc binding site 1 out of 1 in the The Crystal Structure of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4- Sulfamoylphenyl)Acetamide in Complex with Human Carbonic Anhydrase II


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of The Crystal Structure of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4- Sulfamoylphenyl)Acetamide in Complex with Human Carbonic Anhydrase II within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:9.4
occ:1.00
 NE2 A:HIS94 2.0 8.4 1.0
NAA A:QOZ302 2.0 6.6 1.0
NE2 A:HIS96 2.0 6.8 1.0
ND1 A:HIS119 2.0 7.6 1.0
CE1 A:HIS119 2.9 6.3 1.0
CD2 A:HIS94 3.0 8.1 1.0
OAD A:QOZ302 3.0 6.3 1.0
CD2 A:HIS96 3.0 7.3 1.0
CE1 A:HIS94 3.0 6.1 1.0
SBG A:QOZ302 3.1 7.5 1.0
CE1 A:HIS96 3.1 8.1 1.0
CG A:HIS119 3.1 7.5 1.0
CB A:HIS119 3.5 5.5 1.0
O A:HOH527 3.6 11.5 1.0
OG1 A:THR199 3.9 7.6 1.0
OE1 A:GLU106 3.9 6.9 1.0
OAC A:QOZ302 4.1 7.8 1.0
NE2 A:HIS119 4.1 6.7 1.0
CG A:HIS94 4.1 8.2 1.0
ND1 A:HIS94 4.2 7.6 1.0
CG A:HIS96 4.2 6.0 1.0
ND1 A:HIS96 4.2 6.7 1.0
CD2 A:HIS119 4.2 7.3 1.0
CBC A:QOZ302 4.2 8.5 1.0
CD A:GLU106 4.8 6.4 1.0
CAR A:QOZ302 4.9 10.5 1.0
CAQ A:QOZ302 4.9 9.6 1.0

Reference:

K.D'ambrosio, A.Di Fiore, M.Buonanno, S.Kumari, M.Tiwari, C.T.Supuran, C.B.Mishra, S.M.Monti, G.De Simone. The Crystal Structures of 2-(4-Benzhydrylpiperazin-1-Yl)-N-(4-Sulfamoylphenyl) Acetamide in Complex with Human Carbonic Anhydrase II and VII Provide Insights Into Selective Ca Inhibitor Development New J.Chem. V. 45 147 2021.
ISSN: ISSN 1144-0546
DOI: 10.1039/D0NJ03544K
Page generated: Tue Oct 29 15:54:39 2024

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