Cobalt in the structure of Crystal Structure of B.Subtilis Luxs in Complex With (2S)-2-Amino-4- [(2R,3S)-2,3-Dihydroxy-3-N-Hydroxycarbamoyl-Propylmercapto]Butyric Acid (pdb 2fqt)

The binding sites of Cobalt atom in the structure of Crystal Structure of B.Subtilis Luxs in Complex With (2S)-2-Amino-4- [(2R,3S)-2,3-Dihydroxy-3-N-Hydroxycarbamoyl-Propylmercapto]Butyric Acid (pdb code 2fqt). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 2fqt structure was solved by G.SHEN, R.RAJAN, J.ZHU, C.E.BELL, D.PEI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.4-1.8 Space group P6522 a (A) 62.860 b (A) 62.860 c (A) 148.570 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.4 Rfree (%) 22.6 Cobalt Binding Sites: Cobalt binding site 1 out of 1 in 2fqt Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 2fqt. 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: His54, A: Glu57, A: His58, A: Cys126, A: Gly127, A: Gln128, A: His132, A: H1d4398, A: Hoh469, conact list: Atom Atom Distance (A) Co NE2 A:His54 2.06 Co ND1 A:His54 4.11 Co CD2 A:His54 3.10 Co CE1 A:His54 2.98 Co CG A:His54 4.19 Co OE1 A:Glu57 4.48 Co NE2 A:His58 2.07 Co ND1 A:His58 4.08 Co CD2 A:His58 3.16 Co CE1 A:His58 2.92 Co CG A:His58 4.23 Co CB A:Cys126 3.57 Co SG A:Cys126 2.35 Co C A:Cys126 4.44 Co CA A:Cys126 3.99 Co N A:Gly127 3.91 Co CA A:Gly127 4.93 Co N A:Gln128 4.76 Co NE2 A:His132 4.22 Co CE1 A:His132 4.43 Co O1 A:H1d4398 4.92 Co O3 A:H1d4398 2.32 Co C2 A:H1d4398 3.03 Co N1 A:H1d4398 4.31 Co C5 A:H1d4398 4.67 Co O2 A:H1d4398 2.22 Co C4 A:H1d4398 3.96 Co C3 A:H1d4398 3.19 Co O A:Hoh469 4.27 interactive model: