Zinc in PDB 7mu3: Human Carbonic Anhydrase 9 Mimic with Compound

All present enzymatic activity of Human Carbonic Anhydrase 9 Mimic with Compound:
4.2.1.1;

The structure of Human Carbonic Anhydrase 9 Mimic with Compound, PDB code: 7mu3 was solved by T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.83 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.016, 41.612, 72.053, 90, 103.84, 90
R / Rfree (%)	11.9 / 14.8

The binding sites of Zinc atom in the Human Carbonic Anhydrase 9 Mimic with Compound (pdb code 7mu3). 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 9 Mimic with Compound, PDB code: 7mu3:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase 9 Mimic with Compound


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 9 Mimic with Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:8.7 occ:0.80 N23 A:ZOA302 1.9 13.9 0.7 ND1 A:HIS119 2.0 8.3 1.0 NE2 A:HIS94 2.0 8.8 1.0 NE2 A:HIS96 2.1 9.0 1.0 O A:HOH401 2.2 21.9 1.0 O22 A:ZOA302 2.9 14.5 0.7 CE1 A:HIS119 2.9 8.5 1.0 S21 A:ZOA302 3.0 14.2 0.7 CD2 A:HIS94 3.0 9.3 1.0 CE1 A:HIS94 3.0 9.4 1.0 CD2 A:HIS96 3.0 8.3 1.0 CE1 A:HIS96 3.1 8.4 1.0 CG A:HIS119 3.1 7.1 1.0 CB A:HIS119 3.5 6.6 1.0 OG1 A:THR199 3.6 8.2 1.0 O A:HOH563 3.7 23.1 1.0 OE1 A:GLU106 3.9 8.6 1.0 O24 A:ZOA302 4.0 12.6 0.7 NE2 A:HIS119 4.1 7.9 1.0 ND1 A:HIS94 4.1 9.0 1.0 CG A:HIS94 4.2 8.4 1.0 CD2 A:HIS119 4.2 7.5 1.0 ND1 A:HIS96 4.2 8.8 1.0 CG A:HIS96 4.2 7.6 1.0 C20 A:ZOA302 4.2 14.7 0.7 O A:HOH615 4.3 18.0 1.0 C19 A:ZOA302 4.8 15.2 0.7 CD A:GLU106 4.8 7.4 1.0 CA A:HIS119 5.0 6.4 1.0 CB A:THR199 5.0 8.3 1.0

A.Gumus, M.Bozdag, A.Angeli, T.S.Peat, F.Carta, C.T.Supuran, S.Selleri. Privileged Scaffolds in Medicinal Chemistry: Studies on Pyrazolo[1,5-A]Pyrimidines on Sulfonamide Containing Carbonic Anhydrase Inhibitors. Bioorg.Med.Chem.Lett. V. 49 28309 2021.
ISSN: ESSN 1464-3405
PubMed: 34371130
DOI: 10.1016/J.BMCL.2021.128309