Zinc in PDB 6y04: Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan.

All present enzymatic activity of Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan.:
4.2.1.1;

The structure of Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan., PDB code: 6y04 was solved by A.Di Fiore, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.90 / 2.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.300, 77.300, 90.700, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 25.7

The binding sites of Zinc atom in the Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan. (pdb code 6y04). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan., PDB code: 6y04:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:29.8 occ:0.70 O A:HOH428 2.0 29.4 0.7 NE2 A:HIS96 2.0 30.2 1.0 SG A:CYS37 2.3 26.3 1.0 SG A:CYS99 2.3 34.8 1.0 CE1 A:HIS96 3.0 29.8 1.0 CD2 A:HIS96 3.1 29.6 1.0 CB A:CYS37 3.4 20.8 1.0 CB A:CYS99 3.5 39.4 1.0 O A:HOH439 3.6 11.0 0.7 CA A:CYS99 3.7 42.4 1.0 N A:GLY100 3.8 47.4 1.0 ND1 A:HIS96 4.1 29.1 1.0 CB A:ASP39 4.2 15.8 1.0 CG A:HIS96 4.2 28.8 1.0 OD2 A:ASP39 4.2 17.1 1.0 N A:GLY64 4.2 24.1 1.0 C A:CYS99 4.2 44.6 1.0 CA A:GLY64 4.4 25.3 1.0 O A:HOH426 4.5 15.2 1.0 CG A:ASP39 4.7 16.3 1.0 CA A:CYS37 4.8 18.6 1.0 N A:ASP39 4.9 15.1 1.0 N A:CYS99 4.9 43.9 1.0 CA A:GLY100 5.0 50.9 1.0 CA A:ASP39 5.0 15.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Beta-Carbonic Anhydrase Isoform I (TVACA1) From the Trichomonas Vaginalis Protozoan. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:32.1 occ:0.70 NE2 B:HIS96 2.0 32.7 1.0 SG B:CYS37 2.3 26.8 1.0 SG B:CYS99 2.3 38.4 1.0 CE1 B:HIS96 3.0 33.4 1.0 O B:HOH424 3.0 20.9 1.0 CD2 B:HIS96 3.0 32.0 1.0 O B:CYS99 3.3 52.9 1.0 CB B:CYS37 3.4 21.4 1.0 CB B:CYS99 3.5 44.3 1.0 CA B:CYS99 3.6 49.5 1.0 C B:CYS99 3.8 52.7 1.0 ND1 B:HIS96 4.1 31.5 1.0 CB B:ASP39 4.1 16.5 1.0 OD2 B:ASP39 4.1 18.8 1.0 CG B:HIS96 4.1 30.1 1.0 N B:GLY64 4.2 19.6 1.0 CA B:GLY64 4.6 19.8 1.0 CG B:ASP39 4.6 17.5 1.0 CA B:CYS37 4.8 18.9 1.0 N B:ASP39 4.9 16.0 1.0 CA B:ASP39 4.9 16.1 1.0 N B:CYS99 5.0 49.6 1.0

L.J.Urbanski, A.Di Fiore, L.Azizi, V.P.Hytonen, M.Kuuslahti, M.Buonanno, S.M.Monti, A.Angeli, R.Zolfaghari Emameh, C.T.Supuran, G.De Simone, S.Parkkila. Biochemical and Structural Characterisation of A Protozoan Beta-Carbonic Anhydrase Fromtrichomonas Vaginalis. J Enzyme Inhib Med Chem V. 35 1292 2020.
ISSN: ESSN 1475-6374
PubMed: 32515610
DOI: 10.1080/14756366.2020.1774572