Zinc in PDB 7coj: 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: 7coj 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)	33.48 / 2.00
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.921, 87.953, 144.717, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.5

The binding sites of Zinc atom in the Crystal Structure of the B-Carbonic Anhydrase Cafa of the Fungal Pathogen Aspergillus Fumigatus (pdb code 7coj). 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: 7coj:
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:Zn301 b:21.3 occ:1.00 N1 A:AZM302 2.1 19.9 1.0 NE2 A:HIS175 2.1 20.5 1.0 SG A:CYS119 2.3 16.7 1.0 SG A:CYS178 2.4 21.3 1.0 CD2 A:HIS175 3.0 22.2 1.0 CE1 A:HIS175 3.1 22.8 1.0 O1 A:AZM302 3.1 23.4 1.0 S1 A:AZM302 3.1 22.8 1.0 CB A:CYS119 3.3 17.4 1.0 CB A:CYS178 3.3 24.4 1.0 CA A:CYS178 3.7 26.1 1.0 CB A:ASP121 3.8 16.8 1.0 OD2 A:ASP121 4.1 19.0 1.0 O2 A:AZM302 4.1 23.1 1.0 CG A:HIS175 4.2 22.0 1.0 ND1 A:HIS175 4.2 21.6 1.0 CA A:ALA144 4.3 17.6 1.0 N A:ALA144 4.3 15.9 1.0 C1 A:AZM302 4.4 22.6 1.0 C A:CYS178 4.4 25.8 1.0 N A:GLY179 4.4 25.5 1.0 CG A:ASP121 4.5 18.8 1.0 O A:HOH451 4.5 21.6 1.0 CA A:CYS119 4.7 17.5 1.0 N A:GLY180 4.7 22.6 1.0 N A:ASP121 4.8 17.1 1.0 CA A:ASP121 4.9 18.0 1.0 N A:CYS178 4.9 25.5 1.0 CB A:ALA144 5.0 18.7 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:Zn301 b:21.1 occ:1.00 NE2 B:HIS175 2.1 21.9 1.0 N1 B:AZM302 2.1 20.2 1.0 SG B:CYS119 2.4 19.3 1.0 SG B:CYS178 2.4 20.9 1.0 CD2 B:HIS175 3.0 22.5 1.0 CE1 B:HIS175 3.0 22.3 1.0 O1 B:AZM302 3.1 26.0 1.0 S1 B:AZM302 3.2 24.7 1.0 CB B:CYS178 3.3 22.0 1.0 CB B:CYS119 3.3 18.4 1.0 CA B:CYS178 3.6 21.4 1.0 CB B:ASP121 3.8 20.0 1.0 OD2 B:ASP121 4.0 19.0 1.0 ND1 B:HIS175 4.1 23.5 1.0 O2 B:AZM302 4.1 22.6 1.0 CG B:HIS175 4.1 22.7 1.0 CA B:ALA144 4.3 18.2 1.0 C B:CYS178 4.3 22.0 1.0 N B:ALA144 4.3 16.9 1.0 N B:GLY179 4.4 22.6 1.0 C1 B:AZM302 4.4 26.5 1.0 CG B:ASP121 4.4 19.0 1.0 O B:HOH494 4.5 21.4 1.0 CA B:CYS119 4.7 18.0 1.0 N B:GLY180 4.7 21.9 1.0 N B:ASP121 4.8 18.8 1.0 CA B:ASP121 4.9 18.6 1.0 N B:CYS178 4.9 21.5 1.0 CB B:ALA144 4.9 19.1 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:Zn301 b:24.2 occ:1.00 NE2 C:HIS175 1.9 21.5 1.0 N1 C:AZM302 2.1 26.4 1.0 SG C:CYS178 2.4 25.2 1.0 SG C:CYS119 2.4 21.5 1.0 CE1 C:HIS175 2.9 25.2 1.0 CD2 C:HIS175 3.0 25.3 1.0 O1 C:AZM302 3.2 27.5 1.0 S1 C:AZM302 3.2 26.4 1.0 CB C:CYS178 3.3 23.8 1.0 CB C:CYS119 3.3 21.1 1.0 CA C:CYS178 3.6 26.3 1.0 CB C:ASP121 3.9 22.4 1.0 ND1 C:HIS175 4.0 25.1 1.0 OD2 C:ASP121 4.0 22.7 1.0 CG C:HIS175 4.1 24.3 1.0 O2 C:AZM302 4.1 24.1 1.0 CA C:ALA144 4.3 20.8 1.0 N C:ALA144 4.3 20.1 1.0 C1 C:AZM302 4.4 31.5 1.0 C C:CYS178 4.4 25.9 1.0 O C:HOH439 4.4 21.0 1.0 CG C:ASP121 4.5 24.5 1.0 N C:GLY179 4.5 27.1 1.0 CA C:CYS119 4.7 20.2 1.0 N C:GLY180 4.8 26.8 1.0 N C:ASP121 4.8 19.8 1.0 N C:CYS178 4.9 27.3 1.0 CA C:ASP121 4.9 22.2 1.0 CB C:ALA144 5.0 20.8 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:Zn301 b:21.3 occ:1.00 NE2 D:HIS175 2.0 21.0 1.0 N1 D:AZM302 2.1 21.4 1.0 SG D:CYS119 2.4 19.4 1.0 SG D:CYS178 2.5 21.2 1.0 CE1 D:HIS175 3.0 20.6 1.0 CD2 D:HIS175 3.0 20.8 1.0 O1 D:AZM302 3.1 28.4 1.0 S1 D:AZM302 3.1 25.1 1.0 CB D:CYS178 3.2 24.5 1.0 CB D:CYS119 3.3 17.8 1.0 CA D:CYS178 3.6 24.6 1.0 CB D:ASP121 3.8 18.2 1.0 OD2 D:ASP121 4.0 20.9 1.0 ND1 D:HIS175 4.0 20.6 1.0 CG D:HIS175 4.1 19.5 1.0 O2 D:AZM302 4.1 25.2 1.0 CA D:ALA144 4.3 20.1 1.0 N D:ALA144 4.3 19.2 1.0 C D:CYS178 4.4 24.8 1.0 C1 D:AZM302 4.4 28.7 1.0 N D:GLY179 4.4 25.7 1.0 CG D:ASP121 4.4 20.1 1.0 O D:HOH459 4.5 20.1 1.0 CA D:CYS119 4.7 18.6 1.0 N D:GLY180 4.7 24.2 1.0 N D:ASP121 4.8 18.6 1.0 CA D:ASP121 4.8 19.2 1.0 N D:CYS178 4.9 20.8 1.0 CB D:ALA144 5.0 22.0 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