Zinc in PDB 3uco: Coccomyxa Beta-Carbonic Anhydrase in Complex with Iodide

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

The structure of Coccomyxa Beta-Carbonic Anhydrase in Complex with Iodide, PDB code: 3uco 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)	19.94 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	75.478, 75.478, 222.405, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 21.1

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

Iodine

(I)

3 atoms

The binding sites of Zinc atom in the Coccomyxa Beta-Carbonic Anhydrase in Complex with Iodide (pdb code 3uco). 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 Iodide, PDB code: 3uco:
Jump to Zinc binding site number: 1; 2;

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


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 Iodide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn228 b:51.5 occ:1.00 NE2 A:HIS103 2.1 52.5 1.0 O A:HOH231 2.3 26.7 1.0 SG A:CYS47 2.3 48.9 1.0 SG A:CYS106 2.4 49.3 1.0 CD2 A:HIS103 3.0 49.1 1.0 CE1 A:HIS103 3.1 47.2 1.0 CB A:CYS106 3.1 48.8 1.0 CB A:CYS47 3.3 46.4 1.0 CA A:CYS106 3.5 48.9 1.0 I A:IOD229 3.8 69.5 1.0 CB A:ASP49 3.9 48.4 1.0 OD2 A:ASP49 4.0 48.1 1.0 N A:GLY107 4.1 48.7 1.0 CG A:HIS103 4.1 50.7 1.0 ND1 A:HIS103 4.1 47.2 1.0 C A:CYS106 4.1 48.1 1.0 CG A:ASP49 4.4 50.0 1.0 O A:HOH295 4.4 36.3 1.0 N A:GLY72 4.6 40.0 1.0 CA A:GLY72 4.7 39.2 1.0 CA A:CYS47 4.8 46.5 1.0 N A:CYS106 4.8 50.5 1.0 N A:ALA108 4.8 49.6 1.0 N A:ASP49 4.9 47.0 1.0 CA A:ASP49 4.9 47.5 1.0 OD1 A:ASN73 5.0 40.5 1.0

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


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 Iodide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn228 b:51.0 occ:1.00 NE2 B:HIS103 2.0 46.9 1.0 SG B:CYS47 2.3 43.1 1.0 SG B:CYS106 2.3 44.4 1.0 O B:HOH230 2.5 35.0 1.0 CE1 B:HIS103 2.8 46.7 1.0 CD2 B:HIS103 3.1 47.9 1.0 CB B:CYS106 3.2 44.6 1.0 CB B:CYS47 3.2 40.5 1.0 CA B:CYS106 3.5 44.4 1.0 CB B:ASP49 3.8 46.4 1.0 I B:IOD229 3.9 66.7 1.0 ND1 B:HIS103 4.0 45.9 1.0 OD2 B:ASP49 4.1 47.5 1.0 N B:GLY107 4.1 45.9 1.0 CG B:HIS103 4.1 46.3 1.0 C B:CYS106 4.2 45.2 1.0 O B:HOH296 4.2 39.0 1.0 CG B:ASP49 4.4 49.4 1.0 N B:GLY72 4.7 37.8 1.0 CA B:CYS47 4.7 41.4 1.0 N B:CYS106 4.8 45.2 1.0 N B:ALA108 4.9 47.5 1.0 N B:ASP49 4.9 45.2 1.0 CA B:GLY72 4.9 38.0 1.0 CA B:ASP49 4.9 46.7 1.0 OD1 B:ASN73 5.0 42.7 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