Zinc in PDB 3uck: Coccomyxa Beta-Carbonic Anhydrase in Complex with Phosphate

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

The structure of Coccomyxa Beta-Carbonic Anhydrase in Complex with Phosphate, PDB code: 3uck 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)	19.78 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.059, 74.059, 220.502, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 27.5

The structure of Coccomyxa Beta-Carbonic Anhydrase in Complex with Phosphate 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 Phosphate (pdb code 3uck). 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 Phosphate, PDB code: 3uck:
Jump to Zinc binding site number: 1; 2;

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


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 Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn228 b:54.7 occ:1.00 O3 A:PO4229 2.0 53.3 1.0 NE2 A:HIS103 2.1 47.7 1.0 SG A:CYS47 2.3 54.9 1.0 SG A:CYS106 2.4 51.6 1.0 CE1 A:HIS103 2.9 51.5 1.0 O4 A:PO4229 3.0 54.1 1.0 P A:PO4229 3.0 50.8 1.0 CD2 A:HIS103 3.2 53.5 1.0 CB A:CYS106 3.2 51.6 1.0 CB A:CYS47 3.3 46.3 1.0 CA A:CYS106 3.6 52.3 1.0 O1 A:PO4229 3.8 49.2 1.0 CB A:ASP49 3.9 52.8 1.0 ND1 A:HIS103 4.0 52.5 1.0 N A:GLY107 4.0 51.1 1.0 C A:CYS106 4.1 51.1 1.0 CG A:HIS103 4.2 52.0 1.0 O2 A:PO4229 4.3 50.1 1.0 O A:HOH236 4.4 47.6 1.0 OD2 A:ASP49 4.4 53.4 1.0 N A:ALA108 4.6 51.4 1.0 CG A:ASP49 4.6 53.0 1.0 N A:GLY72 4.7 39.4 1.0 CA A:CYS47 4.8 47.0 1.0 N A:CYS106 4.8 53.5 1.0 CB A:ALA108 4.8 52.4 1.0 N A:ASP49 4.8 51.0 1.0 CA A:GLY72 5.0 38.6 1.0 CA A:ASP49 5.0 52.3 1.0

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


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 Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn228 b:47.2 occ:1.00 NE2 B:HIS103 1.9 51.9 1.0 O1 B:PO4229 2.0 64.8 1.0 SG B:CYS47 2.3 50.5 1.0 SG B:CYS106 2.4 47.2 1.0 CD2 B:HIS103 2.8 52.2 1.0 CE1 B:HIS103 3.0 53.1 1.0 CB B:CYS47 3.0 42.8 1.0 CB B:CYS106 3.2 49.0 1.0 P B:PO4229 3.2 63.9 1.0 O2 B:PO4229 3.5 59.5 1.0 CA B:CYS106 3.6 49.3 1.0 CB B:ASP49 3.9 52.6 1.0 O3 B:PO4229 4.0 63.1 1.0 CG B:HIS103 4.0 51.8 1.0 ND1 B:HIS103 4.0 53.8 1.0 N B:GLY107 4.2 49.6 1.0 C B:CYS106 4.3 50.0 1.0 O B:HOH245 4.3 51.2 1.0 O4 B:PO4229 4.4 70.2 1.0 CA B:CYS47 4.5 44.9 1.0 CG B:ASP49 4.6 55.5 1.0 OD1 B:ASP49 4.7 59.5 1.0 N B:GLY72 4.7 40.9 1.0 N B:CYS106 4.9 50.3 1.0 N B:ALA108 4.9 49.9 1.0 N B:ASP49 4.9 50.1 1.0 CA B:GLY72 4.9 41.9 1.0 CA B:ASP49 4.9 52.6 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