Zinc in PDB 6cjv: Carbonic Anhydrase IX-Mimic in Complex with Sucralose

All present enzymatic activity of Carbonic Anhydrase IX-Mimic in Complex with Sucralose:
4.2.1.1;

The structure of Carbonic Anhydrase IX-Mimic in Complex with Sucralose, PDB code: 6cjv was solved by C.L.Lomelino, A.B.Murray, R.Mckenna, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.87 / 1.55
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.820, 41.446, 71.740, 90.00, 103.97, 90.00
R / Rfree (%)	16.2 / 18.5

The structure of Carbonic Anhydrase IX-Mimic in Complex with Sucralose also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Zinc atom in the Carbonic Anhydrase IX-Mimic in Complex with Sucralose (pdb code 6cjv). 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 Carbonic Anhydrase IX-Mimic in Complex with Sucralose, PDB code: 6cjv:

Zinc binding site 1 out of 1 in the Carbonic Anhydrase IX-Mimic in Complex with Sucralose


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase IX-Mimic in Complex with Sucralose within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:14.1 occ:1.00 NE2 A:HIS96 1.9 11.6 1.0 O A:HOH439 2.0 16.6 1.0 NE2 A:HIS94 2.1 14.9 1.0 ND1 A:HIS119 2.1 13.8 1.0 CE1 A:HIS96 2.9 12.7 1.0 CE1 A:HIS119 2.9 13.3 1.0 CD2 A:HIS94 2.9 15.6 1.0 HE1 A:HIS96 3.0 15.3 1.0 CD2 A:HIS96 3.0 15.2 1.0 HE1 A:HIS119 3.0 16.0 1.0 HD2 A:HIS94 3.1 18.8 1.0 CE1 A:HIS94 3.1 16.1 1.0 CG A:HIS119 3.1 11.5 1.0 HB2 A:HIS119 3.2 13.1 1.0 HD2 A:HIS96 3.3 18.3 1.0 HE1 A:HIS94 3.4 19.4 1.0 HG1 A:THR199 3.5 17.4 1.0 CB A:HIS119 3.6 10.9 1.0 O A:HOH451 3.7 19.0 1.0 HB3 A:HIS119 3.8 13.1 1.0 OG1 A:THR199 3.8 14.4 1.0 OE1 A:GLU106 4.0 15.3 1.0 ND1 A:HIS96 4.0 13.5 1.0 O A:HOH541 4.0 23.1 1.0 NE2 A:HIS119 4.1 11.6 1.0 CG A:HIS96 4.1 13.2 1.0 CG A:HIS94 4.1 13.9 1.0 ND1 A:HIS94 4.2 13.8 1.0 CD2 A:HIS119 4.2 10.9 1.0 HH2 A:TRP209 4.3 19.0 1.0 O A:HOH520 4.4 23.2 1.0 HD1 A:HIS96 4.8 16.2 1.0 HG23 A:THR200 4.8 18.9 1.0 HE2 A:HIS119 4.8 14.0 1.0 CD A:GLU106 4.8 17.0 1.0 HD1 A:HIS94 5.0 16.6 1.0

C.L.Lomelino, A.B.Murray, C.T.Supuran, R.Mckenna. Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. Acs Med Chem Lett V. 9 657 2018.
ISSN: ISSN 1948-5875
PubMed: 30034596
DOI: 10.1021/ACSMEDCHEMLETT.8B00100