Zinc in PDB 3ucj: Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide

All present enzymatic activity of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide:
4.2.1.1;

The structure of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide, PDB code: 3ucj was solved by S.Huang, T.Hainzl, A.E.Sauer-Eriksson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.91 / 1.85
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.563, 74.563, 220.386, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21.8

The structure of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide (pdb code 3ucj). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide, PDB code: 3ucj:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn228 b:30.5 occ:1.00 N1 A:AZM229 1.9 26.6 1.0 NE2 A:HIS103 2.1 27.4 1.0 SG A:CYS47 2.4 27.7 1.0 SG A:CYS106 2.4 31.4 1.0 CE1 A:HIS103 3.0 31.3 1.0 CD2 A:HIS103 3.1 30.3 1.0 O2 A:AZM229 3.2 34.4 1.0 S1 A:AZM229 3.2 33.4 1.0 CB A:CYS47 3.3 29.2 1.0 CB A:CYS106 3.4 29.8 1.0 CA A:CYS106 3.6 30.6 1.0 CB A:ASP49 3.8 27.8 1.0 OD2 A:ASP49 4.0 29.4 1.0 O1 A:AZM229 4.0 30.2 1.0 ND1 A:HIS103 4.1 31.6 1.0 CG A:HIS103 4.2 29.8 1.0 C A:CYS106 4.3 29.0 1.0 N A:GLY107 4.4 28.9 1.0 O A:HOH320 4.4 29.6 1.0 CG A:ASP49 4.4 30.8 1.0 C1 A:AZM229 4.5 34.3 1.0 N A:GLY72 4.5 24.7 1.0 N A:ALA108 4.5 29.7 1.0 CB A:ALA108 4.7 30.3 1.0 CA A:CYS47 4.7 27.7 1.0 N A:ASP49 4.8 27.9 1.0 CA A:GLY72 4.8 26.1 1.0 CA A:ASP49 4.9 29.0 1.0 N A:CYS106 4.9 31.6 1.0

Zinc binding site 2 out of 2 in the Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Coccomyxa Beta-Carbonic Anhydrase in Complex with Acetazolamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn228 b:27.5 occ:1.00 NE2 B:HIS103 2.0 28.8 1.0 N1 B:AZM229 2.1 24.4 1.0 SG B:CYS106 2.3 27.4 1.0 SG B:CYS47 2.4 25.1 1.0 CE1 B:HIS103 3.0 26.6 1.0 CD2 B:HIS103 3.1 25.1 1.0 S1 B:AZM229 3.2 31.1 1.0 O2 B:AZM229 3.3 34.3 1.0 CB B:CYS47 3.3 24.7 1.0 CB B:CYS106 3.3 25.7 1.0 CA B:CYS106 3.7 28.4 1.0 CB B:ASP49 3.8 24.5 1.0 ND1 B:HIS103 4.1 28.4 1.0 CG B:HIS103 4.2 28.0 1.0 O1 B:AZM229 4.2 31.1 1.0 OD1 B:ASP49 4.2 27.1 1.0 C B:CYS106 4.3 27.1 1.0 C1 B:AZM229 4.3 31.4 1.0 N B:GLY107 4.4 27.8 1.0 O B:HOH238 4.5 27.4 1.0 CG B:ASP49 4.5 27.1 1.0 N B:GLY72 4.5 24.8 1.0 N B:ALA108 4.7 28.4 1.0 CA B:GLY72 4.7 24.0 1.0 CA B:CYS47 4.7 23.9 1.0 CB B:ALA108 4.8 26.9 1.0 N B:ASP49 4.8 25.9 1.0 CA B:ASP49 4.9 26.1 1.0 N B:CYS106 4.9 27.6 1.0

S.Huang, T.Hainzl, C.Grundstrom, C.Forsman, G.Samuelsson, A.E.Sauer-Eriksson. Structural Studies of [Beta]-Carbonic Anhydrase From the Green Alga Coccomyxa: Inhibitor Complexes with Anions and Acetazolamide. Plos One V. 6 28458 2011.
ISSN: ESSN 1932-6203
PubMed: 22162771
DOI: 10.1371/JOURNAL.PONE.0028458