Cadmium in PDB 3uk8: The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii

All present enzymatic activity of The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii:
4.2.1.1;

The structure of The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii, PDB code: 3uk8 was solved by V.Alterio, G.De Simone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.790, 62.690, 75.210, 90.00, 120.44, 90.00
R / Rfree (%)	18.2 / 21

The binding sites of Cadmium atom in the The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii (pdb code 3uk8). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii, PDB code: 3uk8:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd700 b:17.0 occ:1.00 NE2 A:HIS525 2.3 18.3 1.0 O A:HOH1050 2.3 12.2 1.0 OXT A:ACT800 2.4 19.3 1.0 SG A:CYS473 2.5 17.1 1.0 SG A:CYS535 2.5 18.4 1.0 CE1 A:HIS525 3.1 19.0 1.0 C A:ACT800 3.3 20.5 1.0 CD2 A:HIS525 3.4 18.1 1.0 CB A:CYS535 3.4 19.8 1.0 CB A:CYS473 3.5 16.6 1.0 CA A:CYS535 3.5 19.9 1.0 O A:ACT800 3.6 22.8 1.0 N A:GLY536 3.8 21.4 1.0 C A:CYS535 3.9 20.4 1.0 CA A:GLY491 4.1 13.4 1.0 N A:GLY491 4.2 13.4 1.0 N A:PHE537 4.2 21.6 1.0 OD2 A:ASP475 4.2 19.5 1.0 ND1 A:HIS525 4.3 15.1 1.0 CB A:ASP475 4.4 20.7 1.0 CG A:HIS525 4.4 18.2 1.0 O A:HOH1015 4.5 20.2 1.0 CB A:PHE537 4.5 20.8 1.0 CH3 A:ACT800 4.6 18.6 1.0 CG A:ASP475 4.8 20.6 1.0 CA A:GLY536 4.8 20.7 1.0 N A:CYS535 4.9 20.7 1.0 O A:CYS535 4.9 20.9 1.0 CA A:CYS473 4.9 16.0 1.0 CA A:PHE537 5.0 20.9 1.0

Cadmium binding site 2 out of 2 in the The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of The Crystal Structure of the Cd-Bound Domain 3 of the Cadmium Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd700 b:16.2 occ:1.00 NE2 B:HIS525 2.4 18.6 1.0 SG B:CYS535 2.5 12.2 1.0 OXT B:ACT800 2.5 17.3 1.0 SG B:CYS473 2.5 18.4 1.0 O B:HOH1046 2.5 11.4 1.0 CE1 B:HIS525 3.3 16.2 1.0 C B:ACT800 3.3 15.7 1.0 CD2 B:HIS525 3.4 18.2 1.0 CB B:CYS535 3.4 15.6 1.0 CB B:CYS473 3.4 16.1 1.0 CA B:CYS535 3.5 17.4 1.0 O B:ACT800 3.5 16.5 1.0 N B:GLY536 3.8 14.8 1.0 C B:CYS535 3.9 15.3 1.0 CA B:GLY491 4.1 17.1 1.0 N B:GLY491 4.2 16.1 1.0 N B:PHE537 4.2 15.4 1.0 OD2 B:ASP475 4.3 18.1 1.0 CB B:ASP475 4.4 18.1 1.0 ND1 B:HIS525 4.4 14.8 1.0 CG B:HIS525 4.5 17.4 1.0 CB B:PHE537 4.5 14.1 1.0 O B:HOH1015 4.6 7.1 1.0 CH3 B:ACT800 4.6 15.7 1.0 O B:CYS535 4.7 15.4 1.0 CA B:GLY536 4.8 14.5 1.0 CG B:ASP475 4.9 19.3 1.0 N B:CYS535 4.9 19.0 1.0 CA B:CYS473 4.9 16.4 1.0 CA B:PHE537 5.0 14.7 1.0

V.Alterio, E.Langella, F.Viparelli, D.Vullo, G.Ascione, N.A.Dathan, F.M.Morel, C.T.Supuran, G.De Simone, S.M.Monti. Structural and Inhibition Insights Into Carbonic Anhydrase CDCA1 From the Marine Diatom Thalassiosira Weissflogii. Biochimie V. 94 1232 2012.
ISSN: ISSN 0300-9084
PubMed: 22381359
DOI: 10.1016/J.BIOCHI.2012.02.013