Zinc in PDB 8ttr: CA9 Mimic Bound to SH7

All present enzymatic activity of CA9 Mimic Bound to SH7:
4.2.1.1;

The structure of CA9 Mimic Bound to SH7, PDB code: 8ttr 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)	40.92 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.16, 41.514, 72.065, 90, 104.13, 90
R / Rfree (%)	16.3 / 18.7

The binding sites of Zinc atom in the CA9 Mimic Bound to SH7 (pdb code 8ttr). 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 CA9 Mimic Bound to SH7, PDB code: 8ttr:

Zinc binding site 1 out of 1 in the CA9 Mimic Bound to SH7


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of CA9 Mimic Bound to SH7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:7.8 occ:0.75 N01 A:LGO302 1.8 16.9 0.9 NE2 A:HIS96 2.0 7.5 1.0 ND1 A:HIS119 2.0 6.9 1.0 NE2 A:HIS94 2.1 8.0 1.0 O A:HOH401 2.2 13.7 0.5 CE1 A:HIS119 3.0 6.6 1.0 S02 A:LGO302 3.0 14.0 0.9 CE1 A:HIS96 3.0 6.5 1.0 CE1 A:HIS94 3.0 7.4 1.0 CD2 A:HIS96 3.0 7.8 1.0 CD2 A:HIS94 3.1 8.1 1.0 CG A:HIS119 3.1 6.6 1.0 O34 A:LGO302 3.2 17.1 0.9 CB A:HIS119 3.5 6.2 1.0 C03 A:LGO302 3.7 14.7 0.9 OG1 A:THR199 3.8 7.8 1.0 OE1 A:GLU106 3.9 8.7 1.0 C06 A:LGO302 4.1 15.3 0.9 O35 A:LGO302 4.1 11.5 0.9 NE2 A:HIS119 4.1 6.7 1.0 ND1 A:HIS94 4.2 7.3 1.0 CG A:HIS96 4.2 7.2 1.0 ND1 A:HIS96 4.2 6.6 1.0 CG A:HIS94 4.2 7.2 1.0 CD2 A:HIS119 4.2 6.4 1.0 O A:HOH584 4.2 20.0 1.0 C04 A:LGO302 4.6 15.7 0.9 CD A:GLU106 4.8 8.7 1.0

W.M.Eldehna, M.Fares, A.Bonardi, M.Avgenikos, F.Baselious, M.Schmidt, T.Al-Warhi, H.A.Abdel-Aziz, R.Rennert, T.S.Peat, C.T.Supuran, L.A.Wessjohann, H.S.Ibrahim. 4-(Pyrazolyl)Benzenesulfonamide Ureas As Carbonic Anhydrases Inhibitors and Hypoxia-Mediated Chemo-Sensitizing Agents in Colorectal Cancer Cells. J.Med.Chem. 2024.
ISSN: ISSN 0022-2623
PubMed: 39550697
DOI: 10.1021/ACS.JMEDCHEM.4C01894