Manganese in the structure of Crystal Structure of A Uncharacterized Protein LIN1909 (pdb 3fij)

The binding sites of Manganese atom in the structure of Crystal Structure of A Uncharacterized Protein LIN1909 (pdb code 3fij). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 3fij structure was solved by R.SUGADEV, S.K.BURLEY, S.SWAMINATHAN, NEW YORK SGX RESEARCHCENTER FOR STRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 43.1-2.3 Space group P1211 a (A) 91.056 b (A) 131.205 c (A) 93.290 alpha (°) 90.00 beta (°) 108.79 gamma (°) 90.00 Rfactor (%) 21.7 Rfree (%) 26.9 Manganese Binding Sites: Manganese binding site 1 out of 8 in 3fij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 3fij. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: His143, A: His154, A: Asn175, A: Ser176, A: His178, A: Glu201, A: Gln216, A: Hoh257, A: Hoh617, conact list: Atom Atom Distance (A) Mn O A:His143 4.50 Mn NE2 A:His143 4.12 Mn CB A:His143 3.82 Mn ND1 A:His143 2.16 Mn CD2 A:His143 4.34 Mn C A:His143 4.91 Mn CE1 A:His143 2.91 Mn CG A:His143 3.32 Mn CA A:His143 4.29 Mn NE2 A:His154 2.34 Mn ND1 A:His154 4.44 Mn CD2 A:His154 3.27 Mn CE1 A:His154 3.34 Mn CG A:His154 4.45 Mn O A:Asn175 4.54 Mn CB A:Ser176 3.17 Mn OG A:Ser176 2.23 Mn CA A:Ser176 4.14 Mn NE2 A:His178 2.34 Mn ND1 A:His178 4.32 Mn CD2 A:His178 3.34 Mn CE1 A:His178 3.20 Mn CG A:His178 4.41 Mn OE1 A:Glu201 3.46 Mn OE2 A:Glu201 2.42 Mn CD A:Glu201 3.29 Mn CG A:Glu201 4.67 Mn CB A:Gln216 4.97 Mn CG A:Gln216 4.22 Mn O A:Hoh257 3.99 Mn O A:Hoh617 2.26 interactive model: Manganese binding site 2 out of 8 in 3fij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 3fij. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: His143, B: His154, B: Asn175, B: Ser176, B: His178, B: Glu201, B: Gln216, B: Hoh288, B: Hoh616, conact list: Atom Atom Distance (A) Mn O B:His143 4.53 Mn NE2 B:His143 4.20 Mn CB B:His143 3.72 Mn ND1 B:His143 2.19 Mn CD2 B:His143 4.35 Mn C B:His143 4.85 Mn CE1 B:His143 3.02 Mn CG B:His143 3.30 Mn CA B:His143 4.20 Mn NE2 B:His154 2.27 Mn ND1 B:His154 4.35 Mn CD2 B:His154 3.29 Mn CE1 B:His154 3.20 Mn CG B:His154 4.42 Mn O B:Asn175 4.60 Mn CB B:Ser176 3.19 Mn OG B:Ser176 2.51 Mn CA B:Ser176 4.09 Mn NE2 B:His178 2.38 Mn ND1 B:His178 4.41 Mn CD2 B:His178 3.33 Mn CE1 B:His178 3.31 Mn CG B:His178 4.46 Mn OE1 B:Glu201 3.37 Mn OE2 B:Glu201 2.40 Mn CD B:Glu201 3.21 Mn CG B:Glu201 4.57 Mn CG B:Gln216 4.29 Mn O B:Hoh288 3.83 Mn O B:Hoh616 2.30 interactive model: Manganese binding site 3 out of 8 in 3fij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 3fij. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: His143, C: His154, C: Asn175, C: Ser176, C: His178, C: Thr195, C: Glu201, C: Gln216, C: Hoh255, C: Hoh268, conact list: Atom Atom Distance (A) Mn O C:His143 4.49 Mn NE2 C:His143 4.16 Mn CB C:His143 3.91 Mn ND1 C:His143 2.21 Mn CD2 C:His143 4.40 Mn C C:His143 4.91 Mn CE1 C:His143 2.93 Mn CG C:His143 3.40 Mn CA C:His143 4.34 Mn NE2 C:His154 2.44 Mn ND1 C:His154 4.55 Mn CD2 C:His154 3.37 Mn CE1 C:His154 3.44 Mn CG C:His154 4.55 Mn O C:Asn175 4.51 Mn CB C:Ser176 3.23 Mn OG C:Ser176 2.27 Mn CA C:Ser176 4.16 Mn NE2 C:His178 2.31 Mn ND1 C:His178 4.41 Mn CD2 C:His178 3.22 Mn CE1 C:His178 3.32 Mn CG C:His178 4.40 Mn CG2 C:Thr195 4.92 Mn OE1 C:Glu201 3.32 Mn OE2 C:Glu201 2.25 Mn CD C:Glu201 3.07 Mn CG C:Glu201 4.39 Mn CG C:Gln216 4.26 Mn O C:Hoh255 2.33 Mn O C:Hoh268 4.08 interactive model: Manganese binding site 4 out of 8 in 3fij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Manganese in the PDB 3fij. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: His143, D: His154, D: Asn175, D: Ser176, D: His178, D: Glu201, D: Gln216, D: Hoh276, D: Hoh619, conact list: Atom Atom Distance (A) Mn O D:His143 4.35 Mn NE2 D:His143 4.12 Mn CB D:His143 3.68 Mn ND1 D:His143 2.12 Mn CD2 D:His143 4.28 Mn C D:His143 4.77 Mn CE1 D:His143 2.94 Mn CG D:His143 3.24 Mn CA D:His143 4.17 Mn NE2 D:His154 2.53 Mn ND1 D:His154 4.60 Mn CD2 D:His154 3.48 Mn CE1 D:His154 3.48 Mn CG D:His154 4.63 Mn O D:Asn175 4.50 Mn CB D:Ser176 3.23 Mn OG D:Ser176 2.29 Mn CA D:Ser176 4.18 Mn NE2 D:His178 2.32 Mn ND1 D:His178 4.40 Mn CD2 D:His178 3.28 Mn CE1 D:His178 3.28 Mn CG D:His178 4.43 Mn OE1 D:Glu201 3.41 Mn OE2 D:Glu201 2.27 Mn CD D:Glu201 3.19 Mn CG D:Glu201 4.58 Mn CG D:Gln216 4.32 Mn O D:Hoh276 4.01 Mn O D:Hoh619 2.03 interactive model: Manganese binding site 5 out of 8 in 3fij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Manganese in the PDB 3fij. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: E: His143, E: His154, E: Asn175, E: Ser176, E: His178, E: Glu201, E: Gln216, E: Hoh260, E: Hoh618, conact list: Atom Atom Distance (A) Mn O E:His143 4.37 Mn NE2 E:His143 3.92 Mn CB E:His143 3.78 Mn ND1 E:His143 1.99 Mn CD2 E:His143 4.17 Mn C E:His143 4.76 Mn CE1 E:His143 2.69 Mn CG E:His143 3.21 Mn CA E:His143 4.15 Mn NE2 E:His154 2.42 Mn ND1 E:His154 4.51 Mn CD2 E:His154 3.36 Mn CE1 E:His154 3.39 Mn CG E:His154 4.53 Mn O E:Asn175 4.57 Mn CB E:Ser176 3.13 Mn OG E:Ser176 2.31 Mn CA E:Ser176 4.12 Mn NE2 E:His178 2.17 Mn ND1 E:His178 4.20 Mn CD2 E:His178 3.24 Mn CE1 E:His178 3.04 Mn CG E:His178 4.33 Mn OE1 E:Glu201 3.71 Mn OE2 E:Glu201 2.29 Mn CD E:Glu201 3.32 Mn CG E:Glu201 4.60 Mn CG E:Gln216 4.40 Mn O E:Hoh260 3.95 Mn O E:Hoh618 2.19 interactive model: Manganese binding site 6 out of 8 in 3fij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Manganese in the PDB 3fij. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: F: Gln142, F: His143, F: His154, F: Asn175, F: Ser176, F: His178, F: Thr195, F: Glu201, F: Gln216, F: Hoh255, F: Hoh262, conact list: Atom Atom Distance (A) Mn O F:Gln142 4.93 Mn O F:His143 4.62 Mn NE2 F:His143 4.24 Mn CB F:His143 3.79 Mn ND1 F:His143 2.24 Mn CD2 F:His143 4.41 Mn C F:His143 4.90 Mn CE1 F:His143 3.04 Mn CG F:His143 3.37 Mn CA F:His143 4.17 Mn NE2 F:His154 2.25 Mn ND1 F:His154 4.29 Mn CD2 F:His154 3.22 Mn CE1 F:His154 3.19 Mn CG F:His154 4.33 Mn O F:Asn175 4.67 Mn CB F:Ser176 3.28 Mn OG F:Ser176 2.39 Mn CA F:Ser176 4.30 Mn NE2 F:His178 2.46 Mn ND1 F:His178 4.56 Mn CD2 F:His178 3.38 Mn CE1 F:His178 3.45 Mn CG F:His178 4.56 Mn CG2 F:Thr195 4.72 Mn OE1 F:Glu201 3.33 Mn OE2 F:Glu201 2.27 Mn CD F:Glu201 3.13 Mn CG F:Glu201 4.50 Mn CG F:Gln216 4.42 Mn O F:Hoh255 2.12 Mn O F:Hoh262 4.03 interactive model: Manganese binding site 7 out of 8 in 3fij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Manganese in the PDB 3fij. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: G: His143, G: His154, G: Asn175, G: Ser176, G: His178, G: Thr195, G: Glu201, G: Gln216, G: Hoh264, G: Hoh374, conact list: Atom Atom Distance (A) Mn O G:His143 4.46 Mn NE2 G:His143 4.08 Mn CB G:His143 3.79 Mn ND1 G:His143 2.12 Mn CD2 G:His143 4.29 Mn C G:His143 4.80 Mn CE1 G:His143 2.87 Mn CG G:His143 3.28 Mn CA G:His143 4.21 Mn NE2 G:His154 2.31 Mn ND1 G:His154 4.38 Mn CD2 G:His154 3.33 Mn CE1 G:His154 3.23 Mn CG G:His154 4.46 Mn O G:Asn175 4.63 Mn CB G:Ser176 3.46 Mn OG G:Ser176 2.42 Mn CA G:Ser176 4.13 Mn NE2 G:His178 2.33 Mn ND1 G:His178 4.36 Mn CD2 G:His178 3.37 Mn CE1 G:His178 3.21 Mn CG G:His178 4.47 Mn CG2 G:Thr195 4.93 Mn OE1 G:Glu201 3.25 Mn OE2 G:Glu201 2.49 Mn CD G:Glu201 3.19 Mn CG G:Glu201 4.58 Mn CG G:Gln216 4.28 Mn O G:Hoh264 4.18 Mn O G:Hoh374 2.32 interactive model: Manganese binding site 8 out of 8 in 3fij Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 8 of Manganese in the PDB 3fij. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: H: His143, H: His154, H: Asn175, H: Ser176, H: His178, H: Glu201, H: Gln216, H: Hoh261, H: Hoh620, conact list: Atom Atom Distance (A) Mn O H:His143 4.39 Mn NE2 H:His143 3.80 Mn CB H:His143 3.72 Mn ND1 H:His143 1.88 Mn CD2 H:His143 4.06 Mn C H:His143 4.78 Mn CE1 H:His143 2.57 Mn CG H:His143 3.11 Mn CA H:His143 4.16 Mn NE2 H:His154 2.25 Mn ND1 H:His154 4.32 Mn CD2 H:His154 3.22 Mn CE1 H:His154 3.21 Mn CG H:His154 4.36 Mn O H:Asn175 4.48 Mn CB H:Ser176 3.17 Mn OG H:Ser176 2.39 Mn CA H:Ser176 4.12 Mn NE2 H:His178 2.15 Mn ND1 H:His178 4.21 Mn CD2 H:His178 3.20 Mn CE1 H:His178 3.06 Mn CG H:His178 4.31 Mn OE1 H:Glu201 3.48 Mn OE2 H:Glu201 2.48 Mn CD H:Glu201 3.28 Mn CG H:Glu201 4.59 Mn CG H:Gln216 4.37 Mn O H:Hoh261 4.10 Mn O H:Hoh620 2.12 interactive model: