Molybdenum in the structure of Mgatp-Bound And Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein (pdb 1g20)

The binding sites of Molybdenum atom in the structure of Mgatp-Bound And Nucleotide-Free Structures of A Nitrogenase Protein Complex Between LEU127DEL-Fe Protein and the Mofe Protein (pdb code 1g20). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 1g20 structure was solved by H.-J.CHIU, J.W.PETERS, W.N.LANZILOTTA, M.J.RYLE, L.C.SEEFELDT, J.B.HOWARD, D.C.REES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.2 Space group C121 a (A) 264.240 b (A) 111.460 c (A) 121.590 alpha (°) 90.00 beta (°) 97.40 gamma (°) 90.00 Rfactor (%) 21.8 Rfree (%) 25.5 Molybdenum Binding Sites: Molybdenum binding site 1 out of 2 in 1g20 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 1g20. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Arg96, A: His442, A: Hca1494, A: Cfm1496, A: Hoh1502, conact list: Atom Atom Distance (A) Mo CD A:Arg96 4.97 Mo NE2 A:His442 4.45 Mo CB A:His442 4.05 Mo ND1 A:His442 2.55 Mo CD2 A:His442 4.65 Mo CE1 A:His442 3.26 Mo CG A:His442 3.65 Mo CA A:His442 4.73 Mo O5 A:Hca1494 2.16 Mo C1 A:Hca1494 4.65 Mo O1 A:Hca1494 4.73 Mo C2 A:Hca1494 3.71 Mo C5 A:Hca1494 4.14 Mo C7 A:Hca1494 2.93 Mo C4 A:Hca1494 4.08 Mo C3 A:Hca1494 3.11 Mo O7 A:Hca1494 2.22 Mo O6 A:Hca1494 4.06 Mo S3B A:Cfm1496 2.35 Mo FE6 A:Cfm1496 2.76 Mo S1B A:Cfm1496 2.37 Mo FE7 A:Cfm1496 2.85 Mo S4B A:Cfm1496 2.31 Mo MO1 A:Cfm1496 0.00 Mo FE5 A:Cfm1496 2.87 Mo S2B A:Cfm1496 4.87 Mo O A:Hoh1502 4.24 interactive model: Molybdenum binding site 2 out of 2 in 1g20 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 1g20. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Molybdenum atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Arg96, C: Arg359, C: His442, C: Hca3494, C: Cfm3496, C: Hoh3598, conact list: Atom Atom Distance (A) Mo CD C:Arg96 4.81 Mo NH1 C:Arg359 4.98 Mo NE2 C:His442 4.59 Mo CB C:His442 4.03 Mo ND1 C:His442 2.63 Mo CD2 C:His442 4.77 Mo CE1 C:His442 3.39 Mo CG C:His442 3.72 Mo CA C:His442 4.73 Mo O5 C:Hca3494 2.19 Mo C1 C:Hca3494 4.70 Mo O1 C:Hca3494 4.92 Mo C2 C:Hca3494 3.64 Mo C5 C:Hca3494 4.02 Mo C7 C:Hca3494 3.01 Mo C4 C:Hca3494 3.92 Mo C3 C:Hca3494 3.04 Mo O7 C:Hca3494 2.15 Mo O6 C:Hca3494 4.19 Mo S3B C:Cfm3496 2.32 Mo FE6 C:Cfm3496 2.79 Mo S1B C:Cfm3496 2.37 Mo FE7 C:Cfm3496 2.87 Mo S4B C:Cfm3496 2.33 Mo MO1 C:Cfm3496 0.00 Mo FE5 C:Cfm3496 2.93 Mo S2B C:Cfm3496 4.89 Mo O C:Hoh3598 4.00 interactive model: