Iron in the structure of Crystal Structure of An Encephalitozoon Cuniculi Methionine Aminopeptidase Type 2 With Angiogenesis Inhibitor TNP470 Bound (pdb 3fmr)

The binding sites of Iron atom in the structure of Crystal Structure of An Encephalitozoon Cuniculi Methionine Aminopeptidase Type 2 With Angiogenesis Inhibitor TNP470 Bound (pdb code 3fmr). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 3fmr structure was solved by J.J.ALVARADO, M.RUSSELL, A.ZHANG, J.ADAMS, R.TORO, S.K.BURLEY, L.M.WEISS, S.C.ALMO, NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS(NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.9 Space group P1211 a (A) 61.977 b (A) 94.067 c (A) 66.407 alpha (°) 90.00 beta (°) 99.33 gamma (°) 90.00 Rfactor (%) 17.8 Rfree (%) 26.6 Iron Binding Sites: Iron binding site 1 out of 4 in 3fmr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3fmr. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asp130, A: Asp141, A: His210, A: Ala241, A: Glu243, A: Glu339, A: Fe402, A: Tn4451, conact list: Atom Atom Distance (A) Fe OD2 A:Asp130 4.54 Fe CB A:Asp141 4.42 Fe OD2 A:Asp141 2.28 Fe OD1 A:Asp141 3.52 Fe CG A:Asp141 3.17 Fe NE2 A:His210 2.23 Fe ND1 A:His210 4.22 Fe CD2 A:His210 3.36 Fe CE1 A:His210 3.02 Fe CG A:His210 4.41 Fe CB A:Ala241 4.18 Fe OE1 A:Glu243 2.47 Fe CB A:Glu243 4.73 Fe OE2 A:Glu243 3.26 Fe CD A:Glu243 3.05 Fe CG A:Glu243 4.26 Fe OE1 A:Glu339 3.18 Fe OE2 A:Glu339 2.22 Fe CD A:Glu339 3.05 Fe CG A:Glu339 4.48 Fe FE A:Fe402 2.93 Fe C1 A:Tn4451 4.51 Fe C6 A:Tn4451 4.55 Fe C2A A:Tn4451 4.51 Fe O11 A:Tn4451 3.34 interactive model: Iron binding site 2 out of 4 in 3fmr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3fmr. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Phe97, A: Asp130, A: Asp141, A: Ser142, A: Ala143, A: Glu243, A: Gln337, A: Glu339, A: Fe401, A: Tn4451, conact list: Atom Atom Distance (A) Fe CE2 A:Phe97 4.65 Fe CZ A:Phe97 3.71 Fe CE1 A:Phe97 4.23 Fe CB A:Asp130 4.04 Fe OD2 A:Asp130 2.26 Fe C A:Asp130 5.00 Fe OD1 A:Asp130 2.20 Fe CG A:Asp130 2.53 Fe CA A:Asp130 4.83 Fe O A:Asp141 4.92 Fe CB A:Asp141 4.30 Fe OD2 A:Asp141 3.04 Fe C A:Asp141 4.58 Fe OD1 A:Asp141 2.05 Fe CG A:Asp141 2.87 Fe CA A:Asp141 4.75 Fe N A:Ser142 4.64 Fe C A:Ser142 4.90 Fe CB A:Ala143 4.53 Fe OE1 A:Glu243 4.57 Fe OE2 A:Glu243 3.93 Fe CD A:Glu243 4.32 Fe NE2 A:Gln337 4.42 Fe OE1 A:Glu339 2.10 Fe CB A:Glu339 4.84 Fe OE2 A:Glu339 3.45 Fe CD A:Glu339 3.11 Fe CG A:Glu339 4.45 Fe FE A:Fe401 2.93 Fe O11 A:Tn4451 4.79 interactive model: Iron binding site 3 out of 4 in 3fmr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 3fmr. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Asp130, B: Asp141, B: His210, B: Ile217, B: Ala241, B: Glu243, B: Glu339, B: Fe402, B: Tn4451, conact list: Atom Atom Distance (A) Fe OD2 B:Asp130 4.87 Fe CB B:Asp141 4.38 Fe OD2 B:Asp141 2.11 Fe OD1 B:Asp141 3.59 Fe CG B:Asp141 3.15 Fe NE2 B:His210 2.26 Fe ND1 B:His210 4.36 Fe CD2 B:His210 3.23 Fe CE1 B:His210 3.24 Fe CG B:His210 4.39 Fe CD1 B:Ile217 4.85 Fe CB B:Ala241 4.00 Fe OE1 B:Glu243 3.29 Fe CB B:Glu243 4.94 Fe OE2 B:Glu243 2.41 Fe CD B:Glu243 3.05 Fe CG B:Glu243 4.24 Fe OE1 B:Glu339 3.29 Fe OE2 B:Glu339 2.21 Fe CD B:Glu339 3.08 Fe CG B:Glu339 4.46 Fe FE B:Fe402 3.05 Fe C1 B:Tn4451 4.85 Fe C2A B:Tn4451 4.65 Fe O11 B:Tn4451 3.51 interactive model: Iron binding site 4 out of 4 in 3fmr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 3fmr. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Phe97, B: Asp130, B: Asp141, B: Ser142, B: Ala143, B: Glu243, B: Gln337, B: Glu339, B: Fe401, B: Tn4451, conact list: Atom Atom Distance (A) Fe CZ B:Phe97 4.02 Fe CE1 B:Phe97 4.48 Fe CB B:Asp130 4.12 Fe OD2 B:Asp130 2.53 Fe C B:Asp130 4.96 Fe OD1 B:Asp130 2.09 Fe CG B:Asp130 2.63 Fe CA B:Asp130 4.79 Fe O B:Asp141 4.92 Fe CB B:Asp141 4.42 Fe OD2 B:Asp141 3.13 Fe C B:Asp141 4.64 Fe OD1 B:Asp141 2.23 Fe CG B:Asp141 3.01 Fe CA B:Asp141 4.86 Fe O B:Ser142 4.60 Fe N B:Ser142 4.72 Fe C B:Ser142 4.79 Fe CB B:Ala143 4.43 Fe OE1 B:Glu243 3.85 Fe OE2 B:Glu243 4.64 Fe CD B:Glu243 4.55 Fe NE2 B:Gln337 4.19 Fe OE1 B:Glu339 2.01 Fe CB B:Glu339 4.75 Fe OE2 B:Glu339 3.32 Fe CD B:Glu339 3.00 Fe CG B:Glu339 4.35 Fe FE B:Fe401 3.05 Fe O11 B:Tn4451 4.79 interactive model: