Cadmium in PDB 3boh: Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1)

All present enzymatic activity of Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1):
4.2.1.1;

The structure of Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1), PDB code: 3boh was solved by Y.Xu, L.Feng, P.D.Jeffrey, Y.Shi, F.M.M.Morel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.54 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.390, 43.540, 76.770, 90.00, 92.40, 90.00
R / Rfree (%)	18.6 / 22.4

The binding sites of Cadmium atom in the Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1) (pdb code 3boh). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1), PDB code: 3boh:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1)


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1001 b:14.0 occ:1.00 OXT A:ACT1002 2.3 15.9 1.0 NE2 A:HIS105 2.4 13.1 1.0 SG A:CYS53 2.5 14.3 1.0 O A:HOH1003 2.5 15.7 1.0 SG A:CYS115 2.5 13.7 1.0 CD2 A:HIS105 3.2 12.1 1.0 C A:ACT1002 3.3 24.5 1.0 CE1 A:HIS105 3.4 17.1 1.0 CB A:CYS115 3.4 14.7 1.0 CB A:CYS53 3.4 15.9 1.0 CA A:CYS115 3.5 10.2 1.0 O A:ACT1002 3.6 20.7 1.0 N A:GLY116 3.7 15.8 1.0 C A:CYS115 3.9 11.5 1.0 N A:PHE117 4.2 10.9 1.0 N A:GLY71 4.2 13.8 1.0 CA A:GLY71 4.2 10.8 1.0 OD2 A:ASP55 4.3 13.9 1.0 CG A:HIS105 4.4 12.4 1.0 CB A:ASP55 4.4 17.9 1.0 ND1 A:HIS105 4.4 17.2 1.0 O A:HOH1029 4.5 16.1 1.0 CB A:PHE117 4.5 13.6 1.0 CH3 A:ACT1002 4.6 19.0 1.0 CA A:GLY116 4.8 17.6 1.0 N A:CYS115 4.9 14.6 1.0 CA A:CYS53 4.9 13.0 1.0 CG A:ASP55 4.9 18.6 1.0 O A:CYS115 4.9 14.2 1.0 C A:GLY116 5.0 15.7 1.0 CA A:PHE117 5.0 12.6 1.0

Cadmium binding site 2 out of 2 in the Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1)


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Carbonic Anhydrase From Marine Diatom Thalassiosira Weissflogii- Cadmium Bound Domain 1 with Acetate (CDCA1-R1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd1001 b:14.7 occ:1.00 NE2 B:HIS105 2.3 14.2 1.0 OXT B:ACT1002 2.4 12.0 1.0 O B:HOH1004 2.4 12.0 1.0 SG B:CYS53 2.5 14.0 1.0 SG B:CYS115 2.5 16.0 1.0 CE1 B:HIS105 3.2 14.2 1.0 C B:ACT1002 3.3 16.3 1.0 CD2 B:HIS105 3.3 13.7 1.0 CB B:CYS115 3.4 13.1 1.0 CA B:CYS115 3.5 10.6 1.0 CB B:CYS53 3.5 16.0 1.0 O B:ACT1002 3.6 20.4 1.0 N B:GLY116 3.7 18.6 1.0 C B:CYS115 3.8 12.8 1.0 N B:PHE117 4.2 12.9 1.0 CA B:GLY71 4.2 11.2 1.0 N B:GLY71 4.2 11.2 1.0 OD2 B:ASP55 4.3 15.8 1.0 ND1 B:HIS105 4.4 15.5 1.0 CB B:ASP55 4.4 20.9 1.0 CG B:HIS105 4.4 19.3 1.0 CB B:PHE117 4.5 12.9 1.0 CH3 B:ACT1002 4.6 19.3 1.0 O B:HOH1030 4.6 15.5 1.0 O B:CYS115 4.7 15.0 1.0 CA B:GLY116 4.8 19.5 1.0 N B:CYS115 4.9 16.4 1.0 CA B:CYS53 4.9 16.1 1.0 CG B:ASP55 4.9 22.6 1.0

Y.Xu, L.Feng, P.D.Jeffrey, Y.Shi, F.M.Morel. Structure and Metal Exchange in the Cadmium Carbonic Anhydrase of Marine Diatoms. Nature V. 452 56 2008.
ISSN: ISSN 0028-0836
PubMed: 18322527
DOI: 10.1038/NATURE06636