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Zinc in PDB 7qgy: Human Carbonic Anhydrase II in Complex with 3-((5-(Ethoxycarbonyl)-4- Methylthiazol-2-Yl)(4-Sulfamoylphenyl)Amino)Propanoic Acid

Enzymatic activity of Human Carbonic Anhydrase II in Complex with 3-((5-(Ethoxycarbonyl)-4- Methylthiazol-2-Yl)(4-Sulfamoylphenyl)Amino)Propanoic Acid

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with 3-((5-(Ethoxycarbonyl)-4- Methylthiazol-2-Yl)(4-Sulfamoylphenyl)Amino)Propanoic Acid:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with 3-((5-(Ethoxycarbonyl)-4- Methylthiazol-2-Yl)(4-Sulfamoylphenyl)Amino)Propanoic Acid, PDB code: 7qgy was solved by V.Paketuryte-Latve, 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) 21.12 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.29, 41.06, 72.04, 90, 104.24, 90
R / Rfree (%) 15.5 / 19.4

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Carbonic Anhydrase II in Complex with 3-((5-(Ethoxycarbonyl)-4- Methylthiazol-2-Yl)(4-Sulfamoylphenyl)Amino)Propanoic Acid (pdb code 7qgy). 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 in Complex with 3-((5-(Ethoxycarbonyl)-4- Methylthiazol-2-Yl)(4-Sulfamoylphenyl)Amino)Propanoic Acid, PDB code: 7qgy:

Zinc binding site 1 out of 1 in 7qgy

Go back to Zinc Binding Sites List in 7qgy
Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with 3-((5-(Ethoxycarbonyl)-4- Methylthiazol-2-Yl)(4-Sulfamoylphenyl)Amino)Propanoic Acid


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 in Complex with 3-((5-(Ethoxycarbonyl)-4- Methylthiazol-2-Yl)(4-Sulfamoylphenyl)Amino)Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn301

b:6.3
occ:1.00
 N10 A:D9I302 1.9 6.1 1.0
NE2 A:HIS96 2.0 5.1 1.0
NE2 A:HIS94 2.0 4.9 1.0
ND1 A:HIS119 2.0 4.8 1.0
CE1 A:HIS119 2.9 5.0 1.0
CD2 A:HIS96 3.0 5.0 1.0
CD2 A:HIS94 3.0 5.8 1.0
CE1 A:HIS94 3.0 5.3 1.0
CE1 A:HIS96 3.0 5.2 1.0
O9 A:D9I302 3.0 6.2 1.0
S7 A:D9I302 3.1 6.4 1.0
CG A:HIS119 3.1 4.5 1.0
CB A:HIS119 3.6 4.2 1.0
O A:HOH615 3.7 21.0 1.0
OG1 A:THR199 3.9 5.3 1.0
OE1 A:GLU106 4.0 6.0 1.0
NE2 A:HIS119 4.1 4.9 1.0
O8 A:D9I302 4.1 6.1 1.0
CG A:HIS94 4.1 5.1 1.0
CG A:HIS96 4.1 5.3 1.0
ND1 A:HIS94 4.1 6.0 1.0
C1 A:D9I302 4.2 8.2 1.0
ND1 A:HIS96 4.2 5.6 1.0
CD2 A:HIS119 4.2 4.9 1.0
C6 A:D9I302 4.8 10.0 1.0
CD A:GLU106 5.0 6.5 1.0

Reference:

B.Balandis, T.Simkunas, V.Paketuryte-Latve, V.Michailoviene, A.Mickeviciute, E.Manakova, S.Grazulis, S.Belyakov, V.Kairys, V.Mickevicius, A.Zubriene, D.Matulis. Beta and Gamma Amino Acid-Substituted Benzenesulfonamides As Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals V. 15 2022.
ISSN: ESSN 1424-8247
PubMed: 35455474
DOI: 10.3390/PH15040477
Page generated: Wed Oct 30 09:54:21 2024

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