Zinc in PDB 6gwu: Carbonic Anhydrase CANCE103P From Candida Albicans

All present enzymatic activity of Carbonic Anhydrase CANCE103P From Candida Albicans:
4.2.1.1;

The structure of Carbonic Anhydrase CANCE103P From Candida Albicans, PDB code: 6gwu was solved by J.Brynda, J.Dostal, O.Heidingsfeld, S.Machacek, J.Blaha, I.Pichova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.94 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.363, 90.280, 167.105, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 27.9

The binding sites of Zinc atom in the Carbonic Anhydrase CANCE103P From Candida Albicans (pdb code 6gwu). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Carbonic Anhydrase CANCE103P From Candida Albicans, PDB code: 6gwu:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Carbonic Anhydrase CANCE103P From Candida Albicans


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Carbonic Anhydrase CANCE103P From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:64.9 occ:1.00 S2 A:BME303 2.1 65.0 1.0 SG A:CYS76 2.2 59.6 1.0 SG A:CYS134 2.3 70.9 1.0 NE2 A:HIS131 2.3 72.7 1.0 CD2 A:HIS131 3.0 65.1 1.0 CB A:CYS76 3.0 52.8 1.0 C2 A:BME303 3.3 57.1 1.0 CB A:CYS134 3.3 67.3 1.0 CE1 A:HIS131 3.4 59.2 1.0 CA A:CYS134 3.6 60.0 1.0 CB A:ASP78 3.9 72.2 1.0 CG A:HIS131 4.2 61.2 1.0 N A:GLY135 4.3 60.9 1.0 N A:ALA100 4.3 52.7 1.0 C A:CYS134 4.3 66.8 1.0 ND1 A:HIS131 4.4 58.1 1.0 C1 A:BME303 4.4 69.3 1.0 CA A:ALA100 4.4 55.1 1.0 OD2 A:ASP78 4.4 68.0 1.0 CA A:CYS76 4.5 51.0 1.0 CG A:ASP78 4.6 75.0 1.0 O1 A:BME303 4.7 65.7 1.0 N A:ASP78 4.8 60.0 1.0 N A:CYS134 4.8 64.7 1.0 CA A:ASP78 4.9 69.0 1.0 O A:HOH409 5.0 53.4 1.0 OD1 A:ASN101 5.0 58.3 1.0

Zinc binding site 2 out of 4 in the Carbonic Anhydrase CANCE103P From Candida Albicans


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Carbonic Anhydrase CANCE103P From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:66.7 occ:1.00 NE2 B:HIS131 2.2 68.6 1.0 SG B:CYS76 2.3 58.4 1.0 SG B:CYS134 2.3 68.9 1.0 S2 A:BME302 2.5 88.6 1.0 CE1 B:HIS131 3.1 57.0 1.0 CD2 B:HIS131 3.2 55.1 1.0 CB B:CYS134 3.2 72.1 1.0 CB B:CYS76 3.4 62.3 1.0 CA B:CYS134 3.5 70.9 1.0 CB B:ASP78 3.8 65.8 1.0 N B:GLY135 4.0 68.6 1.0 C B:CYS134 4.1 66.9 1.0 OD2 B:ASP78 4.1 73.4 1.0 ND1 B:HIS131 4.2 70.0 1.0 C2 A:BME302 4.3 69.4 1.0 CG B:HIS131 4.3 66.9 1.0 O B:HOH406 4.4 56.5 1.0 CG B:ASP78 4.4 72.4 1.0 N B:ALA100 4.5 59.0 1.0 CA B:ALA100 4.5 51.7 1.0 N B:ASP78 4.8 65.0 1.0 N B:GLY136 4.8 69.8 1.0 N B:CYS134 4.8 70.4 1.0 CA B:CYS76 4.8 58.0 1.0 CA B:ASP78 4.8 64.4 1.0

Zinc binding site 3 out of 4 in the Carbonic Anhydrase CANCE103P From Candida Albicans


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Carbonic Anhydrase CANCE103P From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:79.3 occ:1.00 SG C:CYS134 2.2 93.1 1.0 SG C:CYS76 2.2 68.8 1.0 NE2 C:HIS131 2.5 78.6 1.0 S2 C:BME302 2.9 96.6 1.0 CE1 C:HIS131 3.1 71.8 1.0 CB C:CYS134 3.2 91.7 1.0 CA C:CYS134 3.4 92.4 1.0 CB C:CYS76 3.6 72.9 1.0 CD2 C:HIS131 3.6 72.2 1.0 CB C:ASP78 3.8 74.9 1.0 N C:GLY135 3.9 89.4 1.0 C C:CYS134 4.0 87.3 1.0 ND1 C:HIS131 4.2 68.9 1.0 N C:ALA100 4.4 71.1 1.0 OD2 C:ASP78 4.5 96.9 1.0 CA C:ALA100 4.5 73.0 1.0 CG C:ASP78 4.5 88.8 1.0 CG C:HIS131 4.6 70.6 1.0 N C:CYS134 4.6 91.1 1.0 N C:ASP78 4.8 63.0 1.0 CA C:ASP78 4.8 69.9 1.0 N C:GLY136 4.8 78.5 1.0 CA C:CYS76 5.0 57.2 1.0

Zinc binding site 4 out of 4 in the Carbonic Anhydrase CANCE103P From Candida Albicans


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Carbonic Anhydrase CANCE103P From Candida Albicans within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:67.0 occ:1.00 SG D:CYS76 2.2 56.3 1.0 NE2 D:HIS131 2.3 77.6 1.0 SG D:CYS134 2.3 72.7 1.0 S2 D:BME302 2.8 87.6 1.0 CE1 D:HIS131 3.1 63.5 1.0 CB D:CYS134 3.3 80.0 1.0 CD2 D:HIS131 3.3 67.9 1.0 CA D:CYS134 3.4 76.2 1.0 CB D:CYS76 3.4 56.8 1.0 N D:GLY135 3.8 76.6 1.0 CB D:ASP78 3.8 58.7 1.0 C D:CYS134 4.0 75.1 1.0 OD2 D:ASP78 4.1 61.8 1.0 ND1 D:HIS131 4.2 63.7 1.0 CG D:HIS131 4.3 71.6 1.0 CG D:ASP78 4.4 69.4 1.0 N D:ALA100 4.6 53.4 1.0 N D:CYS134 4.6 74.5 1.0 CA D:ALA100 4.7 54.1 1.0 CA D:CYS76 4.8 51.1 1.0 N D:ASP78 4.8 53.2 1.0 CA D:ASP78 4.9 59.2 1.0 N D:GLY136 5.0 76.2 1.0 CA D:GLY135 5.0 72.7 1.0

J.Dostal, J.Brynda, J.Blaha, S.Machacek, O.Heidingsfeld, I.Pichova. Crystal Structure of Carbonic Anhydrase CANCE103P From the Pathogenic Yeast Candida Albicans. Bmc Struct. Biol. V. 18 14 2018.
ISSN: ESSN 1472-6807
PubMed: 30367660
DOI: 10.1186/S12900-018-0093-4