Nickel in the structure of Crystal Structure of An Fmn-Binding Protein (pdb 1eje)

The binding sites of Nickel atom in the structure of Crystal Structure of An Fmn-Binding Protein (pdb code 1eje). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 1eje structure was solved by D.CHRISTENDAT, V.SARIDAKIS, A.BOCHKAREV, C.ARROWSMITH, A.M.EDWARDS, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 18.9-2.2 Space group P41212 a (A) 94.650 b (A) 94.650 c (A) 45.400 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.5 Rfree (%) 27.9 Nickel Binding Sites: Nickel binding site 1 out of 2 in 1eje Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 1eje. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Nickel atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Asn42, A: His68, A: Ile99, A: Pro100, A: Glu103, A: Glu105, A: Fmn401, A: Hoh1005, A: Hoh1008, A: Hoh1009, A: Hoh1041, A: Hoh1065, conact list: Atom Atom Distance (A) Ni CB A:Asn42 4.36 Ni ND2 A:Asn42 3.25 Ni OD1 A:Asn42 2.05 Ni CG A:Asn42 2.97 Ni CA A:Asn42 5.00 Ni NE2 A:His68 4.20 Ni CB A:His68 3.48 Ni ND1 A:His68 2.13 Ni CD2 A:His68 4.26 Ni CE1 A:His68 3.07 Ni CG A:His68 3.15 Ni CA A:His68 4.88 Ni O A:Ile99 3.97 Ni C A:Ile99 4.95 Ni O A:Pro100 4.83 Ni O A:Glu103 4.76 Ni OE1 A:Glu105 2.69 Ni OE2 A:Glu105 3.54 Ni CD A:Glu105 3.49 Ni CG A:Glu105 4.94 Ni O1P A:Fmn401 3.89 Ni O5' A:Fmn401 4.22 Ni O2P A:Fmn401 4.54 Ni P A:Fmn401 3.49 Ni O3P A:Fmn401 2.03 Ni O A:Hoh1005 4.13 Ni O A:Hoh1008 2.31 Ni O A:Hoh1009 2.21 Ni O A:Hoh1041 3.74 Ni O A:Hoh1065 4.66 interactive model: Nickel binding site 2 out of 2 in 1eje Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Nickel in the PDB 1eje. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Nickel atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr76, A: His77, A: Hoh1030, conact list: Atom Atom Distance (A) Ni O A:Thr76 4.81 Ni NE2 A:His77 4.05 Ni CB A:His77 3.49 Ni ND1 A:His77 2.00 Ni CD2 A:His77 4.15 Ni CE1 A:His77 2.90 Ni CG A:His77 3.07 Ni CA A:His77 4.94 Ni O A:Hoh1030 2.30 interactive model: