Nickel in the structure of Crystal Structure Of A Reduced, Active Form of the Ni-Fe-Se Hydrogenase From Desulfomicrobium Baculatum (pdb 1cc1)

The binding sites of Nickel atom in the structure of Crystal Structure Of A Reduced, Active Form of the Ni-Fe-Se Hydrogenase From Desulfomicrobium Baculatum (pdb code 1cc1). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 1cc1 structure was solved by E.GARCIN, X.VERNEDE, E.C.HATCHIKIAN, A.VOLBEDA, M.FREY, J.C.FONTECILLA-CAMPS, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.1 Space group P212121 a (A) 110.390 b (A) 63.700 c (A) 99.580 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 24.8 Nickel Binding Sites: Nickel binding site 1 out of 1 in 1cc1 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 1cc1. 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: L: Cys70, L: Val72, L: Cys73, L: His77, L: Arg425, L: Cse492, L: Cys495, L: Fco499, conact list: Atom Atom Distance (A) Ni CB L:Cys70 2.90 Ni SG L:Cys70 2.25 Ni C L:Cys70 4.85 Ni CA L:Cys70 4.36 Ni N L:Val72 4.94 Ni CB L:Val72 4.46 Ni C L:Val72 4.76 Ni CA L:Val72 4.98 Ni N L:Cys73 3.83 Ni CB L:Cys73 3.47 Ni SG L:Cys73 2.33 Ni C L:Cys73 4.86 Ni CA L:Cys73 4.24 Ni NE2 L:His77 4.99 Ni CD L:Arg425 4.65 Ni CZ L:Arg425 4.96 Ni NE L:Arg425 4.98 Ni NH1 L:Arg425 4.54 Ni SE L:Cse492 2.46 Ni CB L:Cse492 3.51 Ni CA L:Cse492 4.92 Ni N L:Cys495 4.87 Ni CB L:Cys495 3.96 Ni SG L:Cys495 2.62 Ni CA L:Cys495 4.95 Ni N1 L:Fco499 4.55 Ni N2 L:Fco499 4.42 Ni C1 L:Fco499 3.59 Ni C3 L:Fco499 4.23 Ni FE L:Fco499 2.53 Ni C2 L:Fco499 3.44 interactive model: