Zinc in PDB 6qqm: Crystal Structure of the Alpha Carbonic Anhydrase From Schistosoma Mansoni

All present enzymatic activity of Crystal Structure of the Alpha Carbonic Anhydrase From Schistosoma Mansoni:
4.2.1.1;

The structure of Crystal Structure of the Alpha Carbonic Anhydrase From Schistosoma Mansoni, PDB code: 6qqm was solved by M.Ferraroni, A.Angeli, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.60 / 1.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.040, 103.040, 132.560, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 20.4

The binding sites of Zinc atom in the Crystal Structure of the Alpha Carbonic Anhydrase From Schistosoma Mansoni (pdb code 6qqm). 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 the Alpha Carbonic Anhydrase From Schistosoma Mansoni, PDB code: 6qqm:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Alpha Carbonic Anhydrase From Schistosoma Mansoni


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 the Alpha Carbonic Anhydrase From Schistosoma Mansoni within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:19.4 occ:1.00 NE2 A:HIS117 1.9 18.7 1.0 O A:HOH511 2.0 25.7 1.0 ND1 A:HIS142 2.1 14.0 1.0 NE2 A:HIS119 2.1 15.6 1.0 CD2 A:HIS117 2.8 16.5 1.0 O A:HOH662 2.9 41.2 1.0 CE1 A:HIS142 3.0 16.1 1.0 CE1 A:HIS117 3.0 19.4 1.0 CD2 A:HIS119 3.1 15.0 1.0 CE1 A:HIS119 3.1 18.6 1.0 CG A:HIS142 3.1 15.7 1.0 CB A:HIS142 3.5 14.9 1.0 OE2 A:GLU129 3.7 18.2 1.0 OG1 A:THR231 3.8 17.6 1.0 O A:HOH640 3.9 32.2 1.0 CG A:HIS117 4.0 17.6 1.0 ND1 A:HIS117 4.1 19.9 1.0 NE2 A:HIS142 4.1 16.3 1.0 ND1 A:HIS119 4.2 16.6 1.0 CG A:HIS119 4.2 15.3 1.0 CD2 A:HIS142 4.2 14.6 1.0 O A:HOH682 4.5 33.6 1.0 CD A:GLU129 4.7 19.3 1.0 O2 A:GOL403 4.9 46.9 1.0 CA A:HIS142 5.0 15.8 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the Alpha Carbonic Anhydrase From Schistosoma Mansoni


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 the Alpha Carbonic Anhydrase From Schistosoma Mansoni within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:22.6 occ:1.00 NE2 B:HIS117 2.0 23.4 1.0 ND1 B:HIS142 2.1 19.0 1.0 O B:HOH510 2.1 29.7 1.0 NE2 B:HIS119 2.1 21.2 1.0 O B:HOH636 2.6 45.2 1.0 CD2 B:HIS117 2.9 21.6 1.0 CE1 B:HIS142 3.0 17.7 1.0 CE1 B:HIS117 3.1 23.6 1.0 CE1 B:HIS119 3.1 20.8 1.0 CD2 B:HIS119 3.1 17.9 1.0 CG B:HIS142 3.1 18.7 1.0 CB B:HIS142 3.6 20.2 1.0 OE2 B:GLU129 3.7 21.4 1.0 O B:HOH657 3.8 35.3 1.0 OG1 B:THR231 3.8 20.1 1.0 O B:HOH569 4.0 37.9 1.0 CG B:HIS117 4.0 21.3 1.0 ND1 B:HIS117 4.1 21.8 1.0 NE2 B:HIS142 4.1 18.4 1.0 ND1 B:HIS119 4.2 20.9 1.0 CD2 B:HIS142 4.2 17.8 1.0 CG B:HIS119 4.2 19.7 1.0 O B:HOH665 4.4 40.1 1.0 CD B:GLU129 4.6 25.0 1.0 CA B:HIS142 5.0 18.1 1.0

A.A.Da'dara, A.Angeli, M.Ferraroni, C.T.Supuran, P.J.Skelly. Crystal Structure and Chemical Inhibition of Essential Schistosome Host-Interactive Virulence Factor Carbonic Anhydrase Smca. Commun Biol V. 2 333 2019.
ISSN: ESSN 2399-3642
PubMed: 31508507
DOI: 10.1038/S42003-019-0578-0