Iron in the structure of Crystal Structure of A Putative Quercetin 2,3-Dioxygenase (Yxag, BSU39980) From Bacillus Subtilis At 2.60 A Resolution (pdb 2h0v)

The binding sites of Iron atom in the structure of Crystal Structure of A Putative Quercetin 2,3-Dioxygenase (Yxag, BSU39980) From Bacillus Subtilis At 2.60 A Resolution (pdb code 2h0v). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2h0v structure was solved by JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.8-2.6 Space group P212121 a (A) 97.416 b (A) 128.659 c (A) 133.889 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.7 Rfree (%) 20.4 Iron Binding Sites: Iron binding site 1 out of 4 in 2h0v Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2h0v. 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: His62, A: His64, A: Glu69, A: His103, A: Edo502, conact list: Atom Atom Distance (A) Fe NE2 A:His62 2.27 Fe ND1 A:His62 4.36 Fe CD2 A:His62 3.21 Fe CE1 A:His62 3.26 Fe CG A:His62 4.37 Fe NE2 A:His64 2.17 Fe ND1 A:His64 4.24 Fe CD2 A:His64 3.15 Fe CE1 A:His64 3.13 Fe CG A:His64 4.29 Fe OE1 A:Glu69 2.14 Fe CB A:Glu69 4.89 Fe OE2 A:Glu69 3.25 Fe CD A:Glu69 3.04 Fe CG A:Glu69 4.47 Fe NE2 A:His103 2.15 Fe ND1 A:His103 4.22 Fe CD2 A:His103 3.15 Fe CE1 A:His103 3.10 Fe CG A:His103 4.28 Fe O1 A:Edo502 2.77 Fe O2 A:Edo502 2.19 Fe C2 A:Edo502 3.01 Fe C1 A:Edo502 2.83 interactive model: Iron binding site 2 out of 4 in 2h0v Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2h0v. 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: His234, A: His236, A: Glu241, A: Phe243, A: His275, A: Tla503, conact list: Atom Atom Distance (A) Fe NE2 A:His234 2.29 Fe ND1 A:His234 4.40 Fe CD2 A:His234 3.21 Fe CE1 A:His234 3.31 Fe CG A:His234 4.39 Fe NE2 A:His236 2.10 Fe ND1 A:His236 4.19 Fe CD2 A:His236 3.08 Fe CE1 A:His236 3.08 Fe CG A:His236 4.22 Fe OE1 A:Glu241 2.04 Fe CB A:Glu241 4.69 Fe OE2 A:Glu241 3.23 Fe CD A:Glu241 2.91 Fe CG A:Glu241 4.23 Fe CZ A:Phe243 4.51 Fe NE2 A:His275 2.09 Fe ND1 A:His275 4.15 Fe CD2 A:His275 3.09 Fe CE1 A:His275 3.04 Fe CG A:His275 4.21 Fe O2 A:Tla503 2.14 Fe C1 A:Tla503 2.64 Fe O1 A:Tla503 1.77 Fe O11 A:Tla503 3.80 Fe C3 A:Tla503 4.11 Fe O3 A:Tla503 4.13 Fe C2 A:Tla503 2.89 interactive model: Iron binding site 3 out of 4 in 2h0v Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2h0v. 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: His62, B: His64, B: Glu69, B: His103, B: Edo502, conact list: Atom Atom Distance (A) Fe NE2 B:His62 2.21 Fe ND1 B:His62 4.28 Fe CD2 B:His62 3.16 Fe CE1 B:His62 3.18 Fe CG B:His62 4.31 Fe NE2 B:His64 2.16 Fe ND1 B:His64 4.24 Fe CD2 B:His64 3.16 Fe CE1 B:His64 3.12 Fe CG B:His64 4.29 Fe OE1 B:Glu69 2.01 Fe CB B:Glu69 4.81 Fe OE2 B:Glu69 3.35 Fe CD B:Glu69 3.02 Fe CG B:Glu69 4.42 Fe NE2 B:His103 2.12 Fe ND1 B:His103 4.17 Fe CD2 B:His103 3.13 Fe CE1 B:His103 3.04 Fe CG B:His103 4.24 Fe O1 B:Edo502 2.16 Fe O2 B:Edo502 2.15 Fe C2 B:Edo502 2.99 Fe C1 B:Edo502 3.01 interactive model: Iron binding site 4 out of 4 in 2h0v Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2h0v. 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: His234, B: His236, B: Glu241, B: Phe243, B: His275, B: Phe298, B: Tla503, conact list: Atom Atom Distance (A) Fe NE2 B:His234 2.33 Fe ND1 B:His234 4.30 Fe CD2 B:His234 3.30 Fe CE1 B:His234 3.20 Fe CG B:His234 4.38 Fe NE2 B:His236 2.08 Fe ND1 B:His236 4.17 Fe CD2 B:His236 3.07 Fe CE1 B:His236 3.06 Fe CG B:His236 4.21 Fe OE1 B:Glu241 2.04 Fe CB B:Glu241 4.66 Fe OE2 B:Glu241 3.29 Fe CD B:Glu241 2.93 Fe CG B:Glu241 4.22 Fe CZ B:Phe243 4.49 Fe NE2 B:His275 2.13 Fe ND1 B:His275 4.12 Fe CD2 B:His275 3.17 Fe CE1 B:His275 2.99 Fe CG B:His275 4.23 Fe CE1 B:Phe298 4.77 Fe O2 B:Tla503 2.04 Fe C4 B:Tla503 4.85 Fe C1 B:Tla503 2.75 Fe O1 B:Tla503 1.96 Fe O11 B:Tla503 3.95 Fe C3 B:Tla503 4.01 Fe O3 B:Tla503 3.81 Fe O4 B:Tla503 4.93 Fe C2 B:Tla503 2.87 interactive model: