Zinc in PDB 5wgp: Human Carbonic Anhydrase IX-Mimic Complexed with Acek

All present enzymatic activity of Human Carbonic Anhydrase IX-Mimic Complexed with Acek:
4.2.1.1;

The structure of Human Carbonic Anhydrase IX-Mimic Complexed with Acek, PDB code: 5wgp was solved by A.B.Murray, C.L.Lomelino, C.T.Supuran, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.60 / 1.53
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.819, 41.108, 72.023, 90.00, 103.88, 90.00
R / Rfree (%)	16.5 / 19

The binding sites of Zinc atom in the Human Carbonic Anhydrase IX-Mimic Complexed with Acek (pdb code 5wgp). 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 IX-Mimic Complexed with Acek, PDB code: 5wgp:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase IX-Mimic Complexed with Acek


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 IX-Mimic Complexed with Acek within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:8.8 occ:1.00 HAF A:AUD302 1.4 12.9 1.0 NE2 A:HIS96 2.0 8.4 1.0 NE2 A:HIS94 2.0 7.6 1.0 ND1 A:HIS119 2.0 7.9 1.0 NAF A:AUD302 2.1 10.7 1.0 CAE A:AUD302 2.9 14.5 1.0 CE1 A:HIS119 2.9 8.2 1.0 CD2 A:HIS96 3.0 10.5 1.0 OAI A:AUD302 3.0 17.1 1.0 CD2 A:HIS94 3.0 9.6 1.0 CE1 A:HIS96 3.0 9.2 1.0 CE1 A:HIS94 3.0 8.3 1.0 CG A:HIS119 3.1 7.4 1.0 SAA A:AUD302 3.2 11.4 1.0 OAG A:AUD302 3.2 12.1 1.0 CB A:HIS119 3.6 6.9 1.0 OG1 A:THR199 3.7 8.5 1.0 OE1 A:GLU106 3.9 8.6 1.0 NE2 A:HIS119 4.1 8.7 1.0 ND1 A:HIS96 4.1 9.1 1.0 ND1 A:HIS94 4.1 10.0 1.0 CG A:HIS96 4.1 7.4 1.0 CG A:HIS94 4.1 8.0 1.0 CD2 A:HIS119 4.2 8.1 1.0 OAH A:AUD302 4.2 11.8 1.0 OAB A:AUD302 4.3 13.1 1.0 CAD A:AUD302 4.3 17.7 1.0 O A:HOH436 4.5 18.1 1.0 CAC A:AUD302 4.7 18.9 1.0 CD A:GLU106 4.8 10.1 1.0 HAD A:AUD302 5.0 21.2 1.0

A.B.Murray, C.L.Lomelino, C.T.Supuran, R.Mckenna. "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J. Med. Chem. V. 61 1176 2018.
ISSN: ISSN 1520-4804
PubMed: 29266943
DOI: 10.1021/ACS.JMEDCHEM.7B01470