Cobalt in the structure of Plasmodium Falciparum Peptide Deformylase Complex With Inhibitor (pdb 1rl4)

The binding sites of Cobalt atom in the structure of Plasmodium Falciparum Peptide Deformylase Complex With Inhibitor (pdb code 1rl4). This binding sites where shown with 5.0 Angstroms radius around Cobalt atom. The 1rl4 structure was solved by M.A.ROBIEN, K.T.NGUYEN, A.KUMAR, I.HIRSH, S.TURLEY, D.PEI, W.G.J.HOL, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group P65 a (A) 102.317 b (A) 102.317 c (A) 118.339 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.7 Rfree (%) 21.2 Cobalt Binding Sites: Cobalt binding site 1 out of 2 in 1rl4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Cobalt in the PDB 1rl4. 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: Gln112, A: Gly155, A: Cys156, A: Leu157, A: His198, A: His202, A: Brr401, A: Hoh704, A: Hoh707, conact list: Atom Atom Distance (A) Co NE2 A:Gln112 3.24 Co OE1 A:Gln112 3.99 Co CD A:Gln112 3.86 Co O A:Gly155 4.97 Co CB A:Cys156 3.48 Co SG A:Cys156 2.44 Co C A:Cys156 4.55 Co CA A:Cys156 3.92 Co N A:Leu157 4.32 Co NE2 A:His198 2.15 Co ND1 A:His198 4.28 Co CD2 A:His198 2.98 Co CE1 A:His198 3.24 Co CG A:His198 4.20 Co NE2 A:His202 2.04 Co ND1 A:His202 4.15 Co CD2 A:His202 2.97 Co CE1 A:His202 3.08 Co CG A:His202 4.14 Co C6 A:Brr401 4.54 Co C5 A:Brr401 4.15 Co N3 A:Brr401 2.81 Co C7 A:Brr401 4.77 Co O1 A:Brr401 2.40 Co O4 A:Brr401 1.82 Co C2 A:Brr401 2.96 Co O A:Hoh704 4.85 Co O A:Hoh707 3.83 interactive model: Cobalt binding site 2 out of 2 in 1rl4 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Cobalt in the PDB 1rl4. 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: B: Gln112, B: Gly155, B: Cys156, B: Leu157, B: Ser158, B: His198, B: His202, B: Brr1401, B: Hoh1704, B: Hoh1707, conact list: Atom Atom Distance (A) Co NE2 B:Gln112 3.30 Co OE1 B:Gln112 4.06 Co CD B:Gln112 3.92 Co O B:Gly155 4.90 Co CB B:Cys156 3.47 Co SG B:Cys156 2.34 Co C B:Cys156 4.49 Co CA B:Cys156 3.86 Co N B:Leu157 4.27 Co N B:Ser158 4.96 Co NE2 B:His198 2.11 Co ND1 B:His198 4.23 Co CD2 B:His198 3.03 Co CE1 B:His198 3.14 Co CG B:His198 4.21 Co NE2 B:His202 2.04 Co ND1 B:His202 4.16 Co CD2 B:His202 2.96 Co CE1 B:His202 3.08 Co CG B:His202 4.14 Co C6 B:Brr1401 4.54 Co C5 B:Brr1401 4.16 Co N3 B:Brr1401 2.83 Co C7 B:Brr1401 4.73 Co O1 B:Brr1401 2.43 Co O4 B:Brr1401 1.80 Co C2 B:Brr1401 2.99 Co O B:Hoh1704 4.83 Co O B:Hoh1707 3.80 interactive model: