Zinc in PDB 1xpz: Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole

All present enzymatic activity of Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole:
4.2.1.1;

The structure of Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole, PDB code: 1xpz was solved by M.D.Lloyd, N.Thiyagarajan, Y.T.Ho, L.W.L.Woo, O.B.Sutcliffe, A.Purohit, M.J.Reed, K.R.Acharya, B.V.L.Potter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.69 / 2.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.569, 72.792, 75.165, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 22.3

The binding sites of Zinc atom in the Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole (pdb code 1xpz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole, PDB code: 1xpz:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn262 b:17.2 occ:1.00 ND1 A:HIS119 2.1 13.9 1.0 NE2 A:HIS94 2.1 15.4 1.0 NE2 A:HIS96 2.2 10.7 1.0 N1 A:4TZ270 2.3 38.1 1.0 O2 A:4TZ270 2.9 34.8 1.0 CE1 A:HIS119 2.9 13.4 1.0 CD2 A:HIS96 3.0 13.8 1.0 S2 A:4TZ270 3.0 34.4 1.0 CD2 A:HIS94 3.0 13.4 1.0 CE1 A:HIS94 3.1 15.4 1.0 CG A:HIS119 3.2 15.8 1.0 CE1 A:HIS96 3.3 13.0 1.0 CB A:HIS119 3.6 13.7 1.0 O1 A:4TZ270 3.7 40.0 1.0 OG1 A:THR199 3.8 16.2 1.0 NE2 A:HIS119 4.1 11.9 1.0 CG A:HIS94 4.2 15.4 1.0 OE1 A:GLU106 4.2 16.7 1.0 ND1 A:HIS94 4.2 15.7 1.0 CG A:HIS96 4.2 12.8 1.0 CD2 A:HIS119 4.2 11.3 1.0 O A:HOH353 4.3 31.9 1.0 ND1 A:HIS96 4.3 10.9 1.0 O3 A:4TZ270 4.4 40.4 1.0 C14 A:4TZ270 4.9 44.8 1.0

Zinc binding site 2 out of 2 in the Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Human Carbonic Anhydrase II with 4-[4-O- Sulfamoylbenzyl)(4-Cyanophenyl)Amino]-4H-[1,2,4]-Triazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn263 b:35.1 occ:1.00 ND1 A:HIS36 2.3 31.6 1.0 O A:HOH389 2.3 29.2 1.0 CE1 A:HIS36 3.2 31.3 1.0 CG A:HIS36 3.3 32.6 1.0 O A:HOH390 3.5 81.4 1.0 CB A:HIS36 3.6 32.4 1.0 CA A:HIS36 4.2 30.9 1.0 NE2 A:HIS36 4.3 33.4 1.0 CD2 A:HIS36 4.4 33.9 1.0 O A:HIS36 4.7 33.4 1.0 C A:HIS36 5.0 31.8 1.0

M.D.Lloyd, N.Thiyagarajan, Y.T.Ho, L.W.L.Woo, O.B.Sutcliffe, A.Purohit, M.J.Reed, K.R.Acharya, B.V.L.Potter. First Crystal Structures of Human Carbonic Anhydrase II in Complex with Dual Aromatase-Steroid Sulfatase Inhibitors(,) Biochemistry V. 44 6858 2005.
ISSN: ISSN 0006-2960
PubMed: 15865431
DOI: 10.1021/BI047692E