Zinc in PDB 3ucm: Coccomyxa Beta-Carbonic Anhydrase in Complex with Thiocyanate

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

The structure of Coccomyxa Beta-Carbonic Anhydrase in Complex with Thiocyanate, PDB code: 3ucm 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)	20.05 / 2.51
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.835, 76.835, 222.139, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 25

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

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


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 Thiocyanate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn228 b:58.9 occ:1.00 N A:SCN229 2.0 54.0 1.0 NE2 A:HIS103 2.1 54.0 1.0 SG A:CYS47 2.3 55.4 1.0 SG A:CYS106 2.4 53.1 1.0 CD2 A:HIS103 3.0 54.9 1.0 CE1 A:HIS103 3.0 52.0 1.0 C A:SCN229 3.1 53.8 1.0 CB A:CYS106 3.2 58.1 1.0 CB A:CYS47 3.4 54.5 1.0 CA A:CYS106 3.7 57.1 1.0 CB A:ASP49 3.9 56.0 1.0 ND1 A:HIS103 4.1 53.5 1.0 CG A:HIS103 4.1 57.0 1.0 C A:CYS106 4.3 57.8 1.0 N A:GLY107 4.4 57.0 1.0 OD2 A:ASP49 4.4 59.7 1.0 O A:HOH353 4.4 46.6 1.0 CG A:ASP49 4.6 59.1 1.0 N A:ALA108 4.6 57.7 1.0 CB A:ALA108 4.7 56.0 1.0 N A:GLY72 4.7 48.6 1.0 O A:HOH248 4.7 55.6 1.0 S A:SCN229 4.8 58.0 1.0 N A:ASP49 4.8 55.3 1.0 CA A:CYS47 4.9 53.9 1.0 CA A:GLY72 4.9 48.4 1.0 CA A:ASP49 4.9 56.5 1.0

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


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 Thiocyanate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn228 b:56.0 occ:1.00 N B:SCN229 2.0 60.1 1.0 NE2 B:HIS103 2.1 61.0 1.0 SG B:CYS106 2.4 53.3 1.0 SG B:CYS47 2.4 55.1 1.0 CD2 B:HIS103 2.9 63.0 1.0 CE1 B:HIS103 3.1 60.6 1.0 CB B:CYS106 3.1 53.7 1.0 C B:SCN229 3.1 60.7 1.0 CB B:CYS47 3.5 52.9 1.0 CA B:CYS106 3.7 53.7 1.0 CG B:HIS103 4.0 59.5 1.0 CB B:ASP49 4.1 56.6 1.0 ND1 B:HIS103 4.1 59.2 1.0 O B:HOH370 4.2 50.7 1.0 C B:CYS106 4.3 53.6 1.0 N B:GLY107 4.3 52.1 1.0 OD1 B:ASP49 4.4 52.9 1.0 N B:GLY72 4.7 49.7 1.0 N B:ALA108 4.7 52.5 1.0 CG B:ASP49 4.7 57.1 1.0 CB B:ALA108 4.8 52.9 1.0 S B:SCN229 4.9 60.3 1.0 CA B:CYS47 4.9 52.8 1.0 O B:HOH255 4.9 50.7 1.0 CA B:GLY72 4.9 49.7 1.0 N B:CYS106 4.9 55.2 1.0 N B:ASP49 5.0 56.6 1.0 OD1 B:ASN73 5.0 53.7 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