Copper in the structure of Structural Basis For Substrate Targeting and Catalysis By Fungal Polysaccharide Monooxygenases (Pmo-3) (pdb 4eis)

The binding sites of Copper atom in the structure of Structural Basis For Substrate Targeting and Catalysis By Fungal Polysaccharide Monooxygenases (Pmo-3) (pdb code 4eis). This binding sites where shown with 5.0 Angstroms radius around Copper atom. The 4eis structure was solved by X.LI, W.T.BEESON, C.M.PHILLIPS, M.A.MARLETTA, J.H.CATE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 35.7-1.4 Space group P1211 a (A) 35.740 b (A) 77.890 c (A) 82.050 alpha (°) 90.00 beta (°) 90.02 gamma (°) 90.00 Rfactor (%) 11.6 Rfree (%) 14.9 Copper Binding Sites: Copper binding site 1 out of 2 in 4eis Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Copper in the PDB 4eis. 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: Hic1, A: Pro41, A: Pro79, A: His82, A: His160, A: Gln169, A: Tyr171, B: Tyr24, A: Per302, A: Hoh401, A: Hoh562, A: Hoh616, conact list: Atom Atom Distance (A) Cu HB2 A:Hic1 4.42 Cu N A:Hic1 2.27 Cu CB A:Hic1 3.34 Cu HB3 A:Hic1 3.36 Cu CD2 A:Hic1 4.08 Cu C A:Hic1 4.53 Cu CG A:Hic1 2.91 Cu CA A:Hic1 3.20 Cu O A:Hic1 4.96 Cu NE2 A:Hic1 4.10 Cu H2 A:Hic1 2.81 Cu HA A:Hic1 3.45 Cu HE1 A:Hic1 3.27 Cu ND1 A:Hic1 1.95 Cu H A:Hic1 2.59 Cu CE1 A:Hic1 2.99 Cu HD3 A:Pro41 4.37 Cu HG3 A:Pro79 3.96 Cu CG A:Pro79 4.44 Cu HG2 A:Pro79 3.99 Cu CD2 A:His82 2.87 Cu CG A:His82 4.07 Cu HD2 A:His82 3.01 Cu NE2 A:His82 2.11 Cu HE1 A:His82 3.53 Cu ND1 A:His82 4.16 Cu CE1 A:His82 3.16 Cu HE2 A:His82 1.30 Cu HE1 A:His160 4.33 Cu CE1 A:His160 5.00 Cu HE2 A:His160 4.56 Cu OE1 A:Gln169 3.82 Cu CD A:Gln169 4.95 Cu OH A:Tyr171 2.73 Cu HE1 A:Tyr171 4.23 Cu CE2 A:Tyr171 4.62 Cu HH A:Tyr171 3.05 Cu CZ A:Tyr171 3.77 Cu CE1 A:Tyr171 4.40 Cu HE2 A:Tyr171 4.62 Cu HE1 B:Tyr24 4.73 Cu O1 A:Per302 3.44 Cu O2 A:Per302 4.33 Cu O A:Hoh401 3.60 Cu O A:Hoh562 4.83 Cu O A:Hoh616 4.92 interactive model: Copper binding site 2 out of 2 in 4eis Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Copper in the PDB 4eis. 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: Dah24, B: Hic1, B: Pro41, B: Pro79, B: His82, B: His160, B: Gln169, B: Tyr171, B: Hoh401, B: Hoh768, conact list: Atom Atom Distance (A) Cu HB2 A:Dah24 4.31 Cu CD2 A:Dah24 4.93 Cu HD2 A:Dah24 4.92 Cu HB2 B:Hic1 4.29 Cu N B:Hic1 2.29 Cu CB B:Hic1 3.21 Cu HB3 B:Hic1 3.21 Cu CD2 B:Hic1 4.00 Cu C B:Hic1 4.44 Cu CG B:Hic1 2.81 Cu CA B:Hic1 3.09 Cu HD2 B:Hic1 4.97 Cu O B:Hic1 4.89 Cu NE2 B:Hic1 4.04 Cu H2 B:Hic1 2.56 Cu HA B:Hic1 3.33 Cu HE1 B:Hic1 3.28 Cu ND1 B:Hic1 1.90 Cu H B:Hic1 2.93 Cu CE1 B:Hic1 2.95 Cu HD3 B:Pro41 4.21 Cu HG3 B:Pro79 4.83 Cu CG B:Pro79 4.52 Cu HG2 B:Pro79 3.56 Cu CD2 B:His82 2.96 Cu CG B:His82 4.11 Cu HD2 B:His82 3.17 Cu NE2 B:His82 2.09 Cu HE1 B:His82 3.37 Cu ND1 B:His82 4.14 Cu CE1 B:His82 3.08 Cu HE2 B:His82 1.23 Cu HE1 B:His160 4.46 Cu HE2 B:His160 4.63 Cu OE1 B:Gln169 3.95 Cu OH B:Tyr171 2.82 Cu HE1 B:Tyr171 4.03 Cu CE2 B:Tyr171 4.83 Cu HH B:Tyr171 3.17 Cu CZ B:Tyr171 3.84 Cu CE1 B:Tyr171 4.32 Cu HE2 B:Tyr171 4.90 Cu O B:Hoh401 2.31 Cu O B:Hoh768 4.49 interactive model: