Mercury in PDB 8p6u: Human Carbonic Anhydrase II Containing 5-Fluorotryptophanes

All present enzymatic activity of Human Carbonic Anhydrase II Containing 5-Fluorotryptophanes:
4.2.1.1; 4.2.1.69;

The structure of Human Carbonic Anhydrase II Containing 5-Fluorotryptophanes, PDB code: 8p6u 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)	20.90 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.85, 41.28, 71.72, 90, 104.1, 90
R / Rfree (%)	14.4 / 17.5

The structure of Human Carbonic Anhydrase II Containing 5-Fluorotryptophanes also contains other interesting chemical elements:

Fluorine	(F)	7 atoms
Zinc	(Zn)	1 atom

The binding sites of Mercury atom in the Human Carbonic Anhydrase II Containing 5-Fluorotryptophanes (pdb code 8p6u). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Human Carbonic Anhydrase II Containing 5-Fluorotryptophanes, PDB code: 8p6u:

Mercury binding site 1 out of 1 in the Human Carbonic Anhydrase II Containing 5-Fluorotryptophanes


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Human Carbonic Anhydrase II Containing 5-Fluorotryptophanes within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg302 b:8.3 occ:1.00 HG A:MBO302 0.0 8.3 1.0 CE1 A:MBO302 2.1 19.2 1.0 SG A:CYS206 2.3 6.4 1.0 O A:VAL135 3.0 7.5 1.0 O A:GLN137 3.0 5.6 1.0 CE6 A:MBO302 3.0 19.4 1.0 CE2 A:MBO302 3.0 19.1 1.0 HE6 A:MBO302 3.1 23.3 1.0 HE2 A:MBO302 3.1 22.9 1.0 CB A:CYS206 3.3 5.9 1.0 CA A:CYS206 3.6 4.8 1.0 C A:VAL135 3.6 6.6 1.0 C A:GLN137 3.6 5.9 1.0 N A:GLN137 3.6 7.0 1.0 O A:GLU205 3.7 8.0 1.0 N A:CYS206 3.7 5.1 1.0 C A:GLU205 3.7 6.0 1.0 CB A:LEU204 4.1 8.9 1.0 N A:GLU205 4.1 6.3 1.0 O A:HOH566 4.1 18.4 1.0 C A:GLN136 4.2 6.3 1.0 CA A:GLN137 4.3 5.8 1.0 CA A:VAL135 4.3 7.2 1.0 CE5 A:MBO302 4.3 19.7 1.0 CE3 A:MBO302 4.3 19.9 1.0 N A:GLN136 4.4 6.2 1.0 N A:PRO138 4.4 5.8 1.0 CA A:GLN136 4.5 6.8 1.0 C A:LEU204 4.5 5.2 1.0 CA A:GLU205 4.6 5.5 1.0 CA A:PRO138 4.6 5.8 1.0 O A:ALA134 4.7 5.5 1.0 CA A:LEU204 4.8 6.5 1.0 CE4 A:MBO302 4.8 19.3 1.0 O A:GLN136 4.9 7.1 1.0 CG A:LEU204 4.9 10.1 1.0

A.Costantino, L.B.T.Pham, L.Barbieri, V.Calderone, G.Ben-Nissan, M.Sharon, L.Banci, E.Luchinat. Controlling the Incorporation of Fluorinated Amino Acids in Human Cells and Its Structural Impact. Protein Sci. V. 33 E4910 2024.
ISSN: ESSN 1469-896X
PubMed: 38358125
DOI: 10.1002/PRO.4910