Copper in the structure of Crystal Structure of Quercetin 2,3-Dioxygenase (pdb 1juh)

The binding sites of Copper atom in the structure of Crystal Structure of Quercetin 2,3-Dioxygenase (pdb code 1juh). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 1juh structure was solved by F.FUSETTI, K.H.SCHROETER, R.A.STEINER, B.W.DIJKSTRA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 87.2-1.6 Space group P1211 a (A) 108.550 b (A) 55.780 c (A) 123.680 alpha (°) 90.00 beta (°) 98.31 gamma (°) 90.00 Rfactor (%) 16.2 Rfree (%) 18.9 Copper Binding Sites: Copper binding site 1 out of 4 in 1juh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 1juh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His66, A: His68, A: Glu73, A: His112, A: Edo2009, A: Hoh2339, conact list: Atom Atom Distance (A) Cu NE2 A:His66 2.17 Cu ND1 A:His66 4.18 Cu CD2 A:His66 3.12 Cu CE1 A:His66 3.10 Cu CG A:His66 4.23 Cu NE2 A:His68 2.07 Cu ND1 A:His68 4.09 Cu CD2 A:His68 3.00 Cu CE1 A:His68 3.03 Cu CG A:His68 4.10 Cu OE1 A:Glu73 2.18 Cu CB A:Glu73 4.71 Cu CB A:Glu73 4.70 Cu OE2 A:Glu73 4.10 Cu OE2 A:Glu73 3.66 Cu CD A:Glu73 4.47 Cu CD A:Glu73 3.25 Cu CG A:Glu73 3.91 Cu CG A:Glu73 4.52 Cu NE2 A:His112 2.09 Cu ND1 A:His112 4.09 Cu CD2 A:His112 3.13 Cu CE1 A:His112 2.96 Cu CG A:His112 4.21 Cu O1 A:Edo2009 3.91 Cu C2 A:Edo2009 4.84 Cu C1 A:Edo2009 3.96 Cu O A:Hoh2339 2.20 Cu O A:Hoh2339 2.61 interactive model: Copper binding site 2 out of 4 in 1juh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 1juh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: His66, B: His68, B: Glu73, B: Phe75, B: His112, B: Phe132, B: Hoh2317, B: Hoh2449, conact list: Atom Atom Distance (A) Cu NE2 B:His66 2.19 Cu ND1 B:His66 4.25 Cu CD2 B:His66 3.13 Cu CE1 B:His66 3.16 Cu CG B:His66 4.26 Cu NE2 B:His68 2.11 Cu ND1 B:His68 4.11 Cu CD2 B:His68 3.04 Cu CE1 B:His68 3.04 Cu CG B:His68 4.14 Cu OE1 B:Glu73 2.07 Cu CB B:Glu73 4.61 Cu CB B:Glu73 4.59 Cu OE2 B:Glu73 3.97 Cu OE2 B:Glu73 3.60 Cu CD B:Glu73 4.36 Cu CD B:Glu73 3.15 Cu CG B:Glu73 3.82 Cu CG B:Glu73 4.42 Cu CZ B:Phe75 4.90 Cu NE2 B:His112 2.08 Cu ND1 B:His112 4.09 Cu CD2 B:His112 3.12 Cu CE1 B:His112 2.96 Cu CG B:His112 4.20 Cu CZ B:Phe132 4.76 Cu O B:Hoh2317 2.17 Cu O B:Hoh2317 2.32 Cu O B:Hoh2449 4.22 interactive model: Copper binding site 3 out of 4 in 1juh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Copper in the PDB 1juh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: His66, C: His68, C: Glu73, C: Phe75, C: His112, C: Phe132, C: Hoh2289, C: Hoh2321, conact list: Atom Atom Distance (A) Cu NE2 C:His66 2.16 Cu ND1 C:His66 4.21 Cu CD2 C:His66 3.12 Cu CE1 C:His66 3.12 Cu CG C:His66 4.25 Cu NE2 C:His68 2.11 Cu ND1 C:His68 4.13 Cu CD2 C:His68 2.99 Cu CE1 C:His68 3.09 Cu CG C:His68 4.11 Cu OE1 C:Glu73 2.11 Cu CB C:Glu73 4.65 Cu CB C:Glu73 4.64 Cu OE2 C:Glu73 4.06 Cu OE2 C:Glu73 3.58 Cu CD C:Glu73 4.47 Cu CD C:Glu73 3.17 Cu CG C:Glu73 3.87 Cu CG C:Glu73 4.46 Cu CZ C:Phe75 4.93 Cu NE2 C:His112 2.15 Cu ND1 C:His112 4.11 Cu CD2 C:His112 3.19 Cu CE1 C:His112 2.98 Cu CG C:His112 4.24 Cu CZ C:Phe132 4.62 Cu O C:Hoh2289 4.27 Cu O C:Hoh2321 2.18 Cu O C:Hoh2321 2.23 interactive model: Copper binding site 4 out of 4 in 1juh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Copper in the PDB 1juh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Copper atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: His66, D: His68, D: Glu73, D: His112, D: Hoh2318, D: Hoh2332, D: Hoh2419, conact list: Atom Atom Distance (A) Cu NE2 D:His66 2.15 Cu ND1 D:His66 4.18 Cu CD2 D:His66 3.11 Cu CE1 D:His66 3.09 Cu CG D:His66 4.22 Cu NE2 D:His68 2.10 Cu ND1 D:His68 4.08 Cu CD2 D:His68 2.95 Cu CE1 D:His68 3.06 Cu CG D:His68 4.06 Cu OE1 D:Glu73 2.05 Cu CB D:Glu73 4.70 Cu CB D:Glu73 4.66 Cu OE2 D:Glu73 4.07 Cu OE2 D:Glu73 3.32 Cu CD D:Glu73 4.44 Cu CD D:Glu73 3.01 Cu CG D:Glu73 3.84 Cu CG D:Glu73 4.37 Cu NE2 D:His112 2.13 Cu ND1 D:His112 4.11 Cu CD2 D:His112 3.19 Cu CE1 D:His112 2.97 Cu CG D:His112 4.25 Cu O D:Hoh2318 2.18 Cu O D:Hoh2318 2.85 Cu O D:Hoh2332 4.45 Cu O D:Hoh2419 3.68 interactive model: