Iron in the structure of Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase Complexed With 2,3-Dihydroxybiphenyl Under Anaerobic Condition (pdb 1kmy)

The binding sites of Iron atom in the structure of Crystal Structure of 2,3-Dihydroxybiphenyl 1,2-Dioxygenase Complexed With 2,3-Dihydroxybiphenyl Under Anaerobic Condition (pdb code 1kmy). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1kmy structure was solved by S.HAN, J.T.BOLIN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 7.0-2.0 Space group I422 a (A) 123.300 b (A) 123.300 c (A) 110.900 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.3 Rfree (%) 19.6 Iron Binding Sites: Iron binding site 1 out of 1 in 1kmy Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1kmy. 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: His146, A: Val148, A: His195, A: His210, A: Met212, A: His241, A: Tyr250, A: Glu260, A: Bpy300, A: Hoh9002, A: Hoh9003, conact list: Atom Atom Distance (A) Fe NE2 A:His146 2.17 Fe ND1 A:His146 4.18 Fe CD2 A:His146 3.37 Fe CE1 A:His146 2.95 Fe CG A:His146 4.41 Fe CG2 A:Val148 4.69 Fe NE2 A:His195 4.10 Fe CE1 A:His195 4.69 Fe NE2 A:His210 2.25 Fe ND1 A:His210 4.25 Fe CD2 A:His210 3.44 Fe CE1 A:His210 3.02 Fe CG A:His210 4.48 Fe CB A:Met212 4.45 Fe CB A:Met212 4.44 Fe CG A:Met212 4.75 Fe CG A:Met212 4.59 Fe NE2 A:His241 4.58 Fe CE2 A:Tyr250 4.59 Fe CZ A:Tyr250 4.59 Fe OH A:Tyr250 3.88 Fe OE1 A:Glu260 3.72 Fe CB A:Glu260 4.45 Fe OE2 A:Glu260 2.01 Fe CD A:Glu260 3.17 Fe CG A:Glu260 4.37 Fe CK3 A:Bpy300 2.87 Fe CK4 A:Bpy300 3.01 Fe CK5 A:Bpy300 4.41 Fe OK1 A:Bpy300 2.35 Fe CK2 A:Bpy300 4.18 Fe CK7 A:Bpy300 4.74 Fe OK2 A:Bpy300 1.98 Fe O A:Hoh9002 3.95 Fe O A:Hoh9003 2.42 interactive model: