Nickel in the structure of Single Crystals of Hydrogenase From Desulfovibrio Vulgaris (pdb 1h2a)

The binding sites of Nickel atom in the structure of Single Crystals of Hydrogenase From Desulfovibrio Vulgaris (pdb code 1h2a). This binding sites where shown with 5.0 Angstroms radius around Nickel atom. The 1h2a structure was solved by Y.HIGUCHI, N.YASUOKA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.8 Space group P212121 a (A) 101.500 b (A) 126.500 c (A) 66.510 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.9 Rfree (%) 27.8 Nickel Binding Sites: Nickel binding site 1 out of 1 in 1h2a Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Nickel in the PDB 1h2a. 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: Cys81, L: Val83, L: Cys84, L: Cys546, L: Cys549, L: Nfe1004, conact list: Atom Atom Distance (A) Ni CB L:Cys81 2.94 Ni SG L:Cys81 2.22 Ni C L:Cys81 4.97 Ni CA L:Cys81 4.37 Ni N L:Val83 4.85 Ni CB L:Val83 4.59 Ni C L:Val83 4.93 Ni O L:Cys84 4.90 Ni N L:Cys84 3.87 Ni CB L:Cys84 3.59 Ni SG L:Cys84 2.38 Ni C L:Cys84 4.92 Ni CA L:Cys84 4.34 Ni CB L:Cys546 3.61 Ni SG L:Cys546 2.33 Ni CA L:Cys546 4.95 Ni N L:Cys549 4.68 Ni CB L:Cys549 3.58 Ni SG L:Cys549 2.37 Ni CA L:Cys549 4.57 Ni NI L:Nfe1004 0.00 Ni S4 L:Nfe1004 2.17 Ni C1 L:Nfe1004 4.11 Ni FE L:Nfe1004 2.55 Ni C2 L:Nfe1004 4.07 Ni S3 L:Nfe1004 3.95 interactive model: