Zinc in PDB 7coi: Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus

All present enzymatic activity of Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus:
4.2.1.1;

The structure of Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus, PDB code: 7coi was solved by M.S.Jin, S.Kim, J.Yeon, J.Sung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 1.80
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.656, 88.713, 144.215, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.4

The binding sites of Zinc atom in the Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus (pdb code 7coi). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus, PDB code: 7coi:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus


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 B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:17.6 occ:1.00 OXT A:ACT301 2.0 18.9 1.0 NE2 A:HIS175 2.1 15.7 1.0 SG A:CYS178 2.3 17.2 1.0 SG A:CYS119 2.3 13.7 1.0 C A:ACT301 3.0 25.7 1.0 CE1 A:HIS175 3.1 17.7 1.0 CD2 A:HIS175 3.1 16.2 1.0 CB A:CYS119 3.2 13.6 1.0 CB A:CYS178 3.3 17.7 1.0 CH3 A:ACT301 3.5 29.8 1.0 CA A:CYS178 3.6 19.3 1.0 CB A:ASP121 3.9 15.9 1.0 O A:ACT301 4.0 26.2 1.0 ND1 A:HIS175 4.2 17.2 1.0 N A:GLY179 4.2 22.8 1.0 OD2 A:ASP121 4.2 16.8 1.0 CG A:HIS175 4.2 17.5 1.0 C A:CYS178 4.2 19.5 1.0 CA A:ALA144 4.2 13.6 1.0 N A:ALA144 4.3 12.6 1.0 O A:HOH458 4.4 15.9 1.0 O A:HOH481 4.5 31.5 1.0 CG A:ASP121 4.6 15.5 1.0 CA A:CYS119 4.6 12.7 1.0 N A:GLY180 4.7 19.5 1.0 N A:ASP121 4.8 14.1 1.0 N A:CYS178 4.8 19.1 1.0 CA A:ASP121 4.9 13.8 1.0 CB A:ALA144 4.9 13.8 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus


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 B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:15.4 occ:1.00 OXT B:ACT301 2.1 18.3 1.0 NE2 B:HIS175 2.1 14.6 1.0 SG B:CYS119 2.3 14.3 1.0 SG B:CYS178 2.4 14.6 1.0 CE1 B:HIS175 3.0 15.4 1.0 C B:ACT301 3.0 25.3 1.0 CD2 B:HIS175 3.1 14.5 1.0 CB B:CYS119 3.2 13.0 1.0 CB B:CYS178 3.3 14.9 1.0 CH3 B:ACT301 3.5 27.1 1.0 CA B:CYS178 3.6 15.5 1.0 CB B:ASP121 3.8 12.7 1.0 O B:ACT301 4.0 30.8 1.0 N B:GLY179 4.1 16.1 1.0 ND1 B:HIS175 4.2 14.5 1.0 OD2 B:ASP121 4.2 14.6 1.0 CG B:HIS175 4.2 14.0 1.0 C B:CYS178 4.2 15.8 1.0 CA B:ALA144 4.2 11.5 1.0 N B:ALA144 4.3 11.0 1.0 O B:HOH441 4.4 12.7 1.0 CG B:ASP121 4.5 15.1 1.0 CA B:CYS119 4.6 12.1 1.0 N B:GLY180 4.7 15.8 1.0 N B:ASP121 4.8 13.2 1.0 O B:HOH465 4.8 34.7 1.0 N B:CYS178 4.8 14.6 1.0 CA B:ASP121 4.9 12.3 1.0 CB B:ALA144 5.0 12.7 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn302 b:23.3 occ:1.00 OXT C:ACT301 2.0 27.1 1.0 NE2 C:HIS175 2.1 23.0 1.0 SG C:CYS178 2.3 22.9 1.0 SG C:CYS119 2.4 20.2 1.0 C C:ACT301 3.0 37.1 1.0 CE1 C:HIS175 3.0 24.7 1.0 CD2 C:HIS175 3.1 22.9 1.0 CB C:CYS119 3.3 17.5 1.0 CB C:CYS178 3.3 24.4 1.0 CH3 C:ACT301 3.3 37.5 1.0 CA C:CYS178 3.6 26.8 1.0 CB C:ASP121 3.9 20.4 1.0 O C:ACT301 3.9 38.6 1.0 ND1 C:HIS175 4.2 26.2 1.0 N C:GLY179 4.2 29.1 1.0 OD2 C:ASP121 4.2 25.4 1.0 CG C:HIS175 4.2 24.5 1.0 CA C:ALA144 4.2 18.9 1.0 C C:CYS178 4.3 27.9 1.0 N C:ALA144 4.3 18.8 1.0 O C:HOH468 4.4 19.3 1.0 CG C:ASP121 4.5 23.2 1.0 CA C:CYS119 4.7 17.5 1.0 N C:GLY180 4.7 23.9 1.0 N C:ASP121 4.8 16.9 1.0 N C:CYS178 4.8 27.4 1.0 CA C:ASP121 4.9 17.4 1.0 CB C:ALA144 4.9 20.2 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn302 b:18.1 occ:1.00 O D:ACT301 2.1 23.3 1.0 NE2 D:HIS175 2.1 16.6 1.0 SG D:CYS119 2.3 16.6 1.0 SG D:CYS178 2.3 18.5 1.0 C D:ACT301 3.0 28.6 1.0 CE1 D:HIS175 3.0 18.3 1.0 CD2 D:HIS175 3.1 16.8 1.0 CB D:CYS119 3.2 17.2 1.0 CB D:CYS178 3.3 19.5 1.0 CH3 D:ACT301 3.3 30.7 1.0 CA D:CYS178 3.6 20.4 1.0 CB D:ASP121 3.8 17.1 1.0 OXT D:ACT301 4.0 33.9 1.0 N D:GLY179 4.1 20.4 1.0 ND1 D:HIS175 4.1 18.9 1.0 OD2 D:ASP121 4.2 17.3 1.0 CG D:HIS175 4.2 16.2 1.0 C D:CYS178 4.3 18.4 1.0 CA D:ALA144 4.3 13.6 1.0 N D:ALA144 4.4 13.4 1.0 O D:HOH450 4.4 15.8 1.0 CG D:ASP121 4.5 16.7 1.0 CA D:CYS119 4.6 14.5 1.0 N D:GLY180 4.7 19.2 1.0 N D:ASP121 4.7 16.0 1.0 CA D:ASP121 4.8 15.8 1.0 N D:CYS178 4.9 20.7 1.0 CB D:ALA144 5.0 14.1 1.0

S.Kim, J.Yeon, J.Sung, M.S.Jin. Crystal Structure of Beta-Carbonic Anhydrase Cafa From the Fungal Pathogen Aspergillus Fumigatus . Mol.Cells V. 43 831 2020.
ISSN: ISSN 1016-8478
PubMed: 32975213
DOI: 10.14348/MOLCELLS.2020.0168