Zinc in PDB 8b29: Human Carbonic Anhydrase II Containing 6-Fluorotryptophanes.

All present enzymatic activity of Human Carbonic Anhydrase II Containing 6-Fluorotryptophanes.:
4.2.1.1; 4.2.1.69;

The structure of Human Carbonic Anhydrase II Containing 6-Fluorotryptophanes., PDB code: 8b29 was solved by L.B.T.Pham, A.Costantino, L.Barbieri, V.Calderone, E.Luchinat, L.Banci, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.98 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.2, 41.22, 71.96, 90, 104.33, 90
R / Rfree (%)	16.2 / 21

The structure of Human Carbonic Anhydrase II Containing 6-Fluorotryptophanes. also contains other interesting chemical elements:

Fluorine

(F)

7 atoms

The binding sites of Zinc atom in the Human Carbonic Anhydrase II Containing 6-Fluorotryptophanes. (pdb code 8b29). 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 II Containing 6-Fluorotryptophanes., PDB code: 8b29:

Zinc binding site 1 out of 1 in the Human Carbonic Anhydrase II Containing 6-Fluorotryptophanes.


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 II Containing 6-Fluorotryptophanes. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:10.7 occ:1.00 O A:HOH418 1.9 11.0 1.0 NE2 A:HIS94 2.1 8.3 1.0 NE2 A:HIS96 2.1 6.4 1.0 ND1 A:HIS119 2.2 7.5 1.0 O A:HOH587 2.3 18.1 1.0 CD2 A:HIS94 3.0 7.4 1.0 CD2 A:HIS96 3.1 7.1 1.0 CE1 A:HIS119 3.1 7.6 1.0 CE1 A:HIS96 3.1 10.2 1.0 CE1 A:HIS94 3.2 8.7 1.0 CG A:HIS119 3.2 6.6 1.0 CB A:HIS119 3.5 6.0 1.0 O A:HOH555 3.8 15.6 1.0 OG1 A:THR199 3.8 10.0 1.0 FAP A:FT6209 3.8 8.6 0.5 OE1 A:GLU106 4.0 7.2 1.0 O A:HOH551 4.1 19.2 1.0 CG A:HIS94 4.2 7.4 1.0 ND1 A:HIS94 4.2 5.4 1.0 ND1 A:HIS96 4.2 5.6 1.0 NE2 A:HIS119 4.2 5.7 1.0 CG A:HIS96 4.2 7.2 1.0 CD2 A:HIS119 4.3 6.1 1.0 O A:HOH626 4.6 19.8 1.0 CD A:GLU106 4.8 9.2 1.0 CA A:HIS119 5.0 6.6 1.0

L.B.T.Pham, A.Costantino, L.Barbieri, V.Calderone, E.Luchinat, L.Banci. Direct Expression of Fluorinated Proteins in Human Cells For 19F in-Cell uc(Nmr) Spectroscopy J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
DOI: 10.1021/JACS.2C12086