Iron in the structure of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis (pdb 1uzr)

The binding sites of Iron atom in the structure of Crystal Structure of the Class Ib Ribonucleotide Reductase R2F-2 Subunit From Mycobacterium Tuberculosis (pdb code 1uzr). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1uzr structure was solved by M.UPPSTEN, J.DAVIS, H.RUBIN, U.UHLIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 111.8-2.2 Space group P42212 a (A) 161.492 b (A) 161.492 c (A) 115.530 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.5 Rfree (%) 20.2 Iron Binding Sites: Iron binding site 1 out of 6 in 1uzr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1uzr. 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: Asp72, A: Glu103, A: His106, A: Glu163, A: Phe167, A: Ile193, A: Glu197, A: His200, A: Fe1293, A: Hoh2043, A: Hoh2060, conact list: Atom Atom Distance (A) Fe CB A:Asp72 4.37 Fe OD2 A:Asp72 3.37 Fe OD1 A:Asp72 2.06 Fe CG A:Asp72 3.06 Fe CA A:Asp72 4.94 Fe OE1 A:Glu103 2.13 Fe CB A:Glu103 4.65 Fe OE2 A:Glu103 3.62 Fe CD A:Glu103 3.22 Fe CG A:Glu103 4.48 Fe CA A:Glu103 4.40 Fe NE2 A:His106 4.23 Fe CB A:His106 3.61 Fe ND1 A:His106 2.23 Fe CD2 A:His106 4.32 Fe CE1 A:His106 3.10 Fe CG A:His106 3.25 Fe OE1 A:Glu163 4.82 Fe CE2 A:Phe167 4.28 Fe CD1 A:Phe167 4.67 Fe CD2 A:Phe167 4.91 Fe CZ A:Phe167 3.79 Fe CE1 A:Phe167 4.00 Fe CG2 A:Ile193 4.24 Fe OE1 A:Glu197 2.24 Fe OE2 A:Glu197 2.60 Fe CD A:Glu197 2.75 Fe CG A:Glu197 4.30 Fe ND1 A:His200 4.93 Fe CE1 A:His200 4.94 Fe FE A:Fe1293 3.56 Fe O A:Hoh2043 4.38 Fe O A:Hoh2060 2.84 interactive model: Iron binding site 2 out of 6 in 1uzr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1uzr. 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: Asp72, A: Gln75, A: Ile99, A: Glu103, A: His106, A: Glu163, A: Phe167, A: Glu197, A: His200, A: Fe1292, A: Hoh2060, conact list: Atom Atom Distance (A) Fe OD1 A:Asp72 4.88 Fe CG A:Gln75 4.54 Fe CG2 A:Ile99 4.75 Fe OE1 A:Glu103 3.11 Fe OE2 A:Glu103 1.93 Fe CD A:Glu103 2.90 Fe CG A:Glu103 4.29 Fe ND1 A:His106 4.91 Fe CE1 A:His106 4.83 Fe OE1 A:Glu163 2.00 Fe CB A:Glu163 4.71 Fe OE2 A:Glu163 2.56 Fe CD A:Glu163 2.58 Fe CG A:Glu163 4.05 Fe CE1 A:Phe167 4.80 Fe N A:Glu197 4.97 Fe OE1 A:Glu197 3.83 Fe CB A:Glu197 4.59 Fe OE2 A:Glu197 1.83 Fe CD A:Glu197 2.87 Fe CG A:Glu197 3.62 Fe CA A:Glu197 4.41 Fe NE2 A:His200 4.20 Fe CB A:His200 3.56 Fe ND1 A:His200 2.15 Fe CD2 A:His200 4.30 Fe CE1 A:His200 3.05 Fe CG A:His200 3.20 Fe FE A:Fe1292 3.56 Fe O A:Hoh2060 2.32 interactive model: Iron binding site 3 out of 6 in 1uzr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1uzr. 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: Asp72, B: Glu103, B: His106, B: Glu163, B: Phe167, B: Ile193, B: Glu197, B: His200, B: Fe1298, B: Hoh2037, B: Hoh2050, conact list: Atom Atom Distance (A) Fe CB B:Asp72 4.42 Fe OD2 B:Asp72 3.66 Fe OD1 B:Asp72 2.05 Fe CG B:Asp72 3.18 Fe CA B:Asp72 4.95 Fe O B:Glu103 4.94 Fe OE1 B:Glu103 2.22 Fe CB B:Glu103 4.68 Fe OE2 B:Glu103 3.83 Fe CD B:Glu103 3.34 Fe CG B:Glu103 4.56 Fe CA B:Glu103 4.37 Fe NE2 B:His106 4.37 Fe CB B:His106 3.59 Fe ND1 B:His106 2.32 Fe CD2 B:His106 4.43 Fe CE1 B:His106 3.24 Fe CG B:His106 3.30 Fe OE1 B:Glu163 4.85 Fe CE2 B:Phe167 4.39 Fe CD1 B:Phe167 4.85 Fe CD2 B:Phe167 4.96 Fe CZ B:Phe167 3.98 Fe CE1 B:Phe167 4.22 Fe CG2 B:Ile193 4.18 Fe OE1 B:Glu197 2.38 Fe OE2 B:Glu197 2.51 Fe CD B:Glu197 2.79 Fe CG B:Glu197 4.35 Fe ND1 B:His200 4.98 Fe FE B:Fe1298 3.63 Fe O B:Hoh2037 4.48 Fe O B:Hoh2050 3.11 interactive model: Iron binding site 4 out of 6 in 1uzr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1uzr. 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: Asp72, B: Gln75, B: Ile99, B: Glu103, B: His106, B: Glu163, B: Glu197, B: His200, B: Fe1297, B: Hoh2050, conact list: Atom Atom Distance (A) Fe OD1 B:Asp72 4.99 Fe NE2 B:Gln75 4.84 Fe CG B:Gln75 4.45 Fe CG2 B:Ile99 4.78 Fe OE1 B:Glu103 3.12 Fe OE2 B:Glu103 2.03 Fe CD B:Glu103 2.94 Fe CG B:Glu103 4.35 Fe ND1 B:His106 4.99 Fe OE1 B:Glu163 1.94 Fe CB B:Glu163 4.74 Fe OE2 B:Glu163 2.52 Fe CD B:Glu163 2.55 Fe CG B:Glu163 4.03 Fe N B:Glu197 4.95 Fe OE1 B:Glu197 3.90 Fe CB B:Glu197 4.62 Fe OE2 B:Glu197 2.00 Fe CD B:Glu197 2.96 Fe CG B:Glu197 3.66 Fe CA B:Glu197 4.38 Fe NE2 B:His200 4.31 Fe CB B:His200 3.57 Fe ND1 B:His200 2.24 Fe CD2 B:His200 4.37 Fe CE1 B:His200 3.17 Fe CG B:His200 3.25 Fe FE B:Fe1297 3.63 Fe O B:Hoh2050 2.44 interactive model: Iron binding site 5 out of 6 in 1uzr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1uzr. 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: C: Asp72, C: Glu103, C: His106, C: Glu163, C: Phe167, C: Ile193, C: Glu197, C: Fe1293, C: Hoh2043, C: Hoh2077, conact list: Atom Atom Distance (A) Fe CB C:Asp72 4.41 Fe OD2 C:Asp72 3.30 Fe OD1 C:Asp72 2.20 Fe CG C:Asp72 3.07 Fe CA C:Asp72 4.95 Fe O C:Glu103 4.93 Fe OE1 C:Glu103 2.26 Fe CB C:Glu103 4.61 Fe OE2 C:Glu103 3.87 Fe CD C:Glu103 3.38 Fe CG C:Glu103 4.59 Fe CA C:Glu103 4.31 Fe NE2 C:His106 4.23 Fe CB C:His106 3.62 Fe ND1 C:His106 2.20 Fe CD2 C:His106 4.33 Fe CE1 C:His106 3.07 Fe CG C:His106 3.25 Fe OE1 C:Glu163 4.97 Fe CE2 C:Phe167 4.10 Fe CD2 C:Phe167 4.78 Fe CZ C:Phe167 3.93 Fe CE1 C:Phe167 4.45 Fe CG2 C:Ile193 4.37 Fe OE1 C:Glu197 2.43 Fe OE2 C:Glu197 2.35 Fe CD C:Glu197 2.72 Fe CG C:Glu197 4.28 Fe FE C:Fe1293 3.65 Fe O C:Hoh2043 4.58 Fe O C:Hoh2077 3.11 interactive model: Iron binding site 6 out of 6 in 1uzr Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Iron in the PDB 1uzr. 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: C: Asp72, C: Gln75, C: Ile99, C: Glu103, C: His106, C: Glu163, C: Glu197, C: His200, C: Fe1292, C: Hoh2077, conact list: Atom Atom Distance (A) Fe OD1 C:Asp72 4.97 Fe CG C:Gln75 4.56 Fe CG2 C:Ile99 4.87 Fe OE1 C:Glu103 3.18 Fe OE2 C:Glu103 2.16 Fe CD C:Glu103 3.03 Fe CG C:Glu103 4.46 Fe ND1 C:His106 4.91 Fe CE1 C:His106 4.80 Fe OE1 C:Glu163 2.07 Fe CB C:Glu163 4.73 Fe OE2 C:Glu163 2.34 Fe CD C:Glu163 2.51 Fe CG C:Glu163 4.00 Fe N C:Glu197 4.99 Fe OE1 C:Glu197 1.98 Fe CB C:Glu197 4.51 Fe OE2 C:Glu197 3.95 Fe CD C:Glu197 2.95 Fe CG C:Glu197 3.57 Fe CA C:Glu197 4.33 Fe NE2 C:His200 4.38 Fe CB C:His200 3.61 Fe ND1 C:His200 2.30 Fe CD2 C:His200 4.44 Fe CE1 C:His200 3.24 Fe CG C:His200 3.31 Fe FE C:Fe1292 3.65 Fe O C:Hoh2077 2.61 interactive model: