Cobalt in the structure of A Closer Look At The Active Site Of Gamma-Carbonic Anhydrases: High Resolution Crystallographic Studies of the Carbonic Anhydrase From Methanosarcina Thermophila (pdb 1qre)

The binding sites of Cobalt atom in the structure of A Closer Look At The Active Site Of Gamma-Carbonic Anhydrases: High Resolution Crystallographic Studies of the Carbonic Anhydrase From Methanosarcina Thermophila (pdb code 1qre). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1qre structure was solved by T.M.IVERSON, B.E.ALBER, C.KISKER, J.G.FERRY, D.C.REES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.5 Space group P213 a (A) 82.581 b (A) 82.581 c (A) 82.581 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.5 Rfree (%) 20.6 Cobalt Binding Sites: Cobalt binding site 1 out of 1 in 1qre Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1qre. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Cobalt atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu62, A: His81, A: Ala82, A: His122, A: Bct215, A: Hoh217, A: Hoh322, A: Hoh323, conact list: Atom Atom Distance (A) Co OE1 A:Glu62 4.45 Co NE2 A:His81 4.23 Co CB A:His81 3.70 Co ND1 A:His81 2.25 Co CD2 A:His81 4.32 Co C A:His81 4.64 Co CE1 A:His81 3.08 Co CG A:His81 3.28 Co CA A:His81 4.78 Co O A:Ala82 4.66 Co N A:Ala82 4.36 Co C A:Ala82 4.77 Co CA A:Ala82 4.95 Co NE2 A:His122 2.23 Co ND1 A:His122 4.24 Co CD2 A:His122 3.15 Co CE1 A:His122 3.15 Co CG A:His122 4.27 Co O1 A:Bct215 2.57 Co O2 A:Bct215 4.16 Co C A:Bct215 3.24 Co O3 A:Bct215 3.54 Co O A:Hoh217 3.90 Co O A:Hoh322 2.39 Co O A:Hoh323 2.56 interactive model: