Molybdenum in the structure of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant (pdb 1h1l)

The binding sites of Molybdenum atom in the structure of Nitrogenase Mo-Fe Protein From Klebsiella Pneumoniae, Nifv Mutant (pdb code 1h1l). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 1h1l structure was solved by S.M.MAYER, C.A.GORMAL, B.E.SMITH, D.M.LAWSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 40.0-1.9 Space group C121 a (A) 204.060 b (A) 75.060 c (A) 164.260 alpha (°) 90.00 beta (°) 123.95 gamma (°) 90.00 Rfactor (%) 17.6 Rfree (%) 23.6 Molybdenum Binding Sites: Molybdenum binding site 1 out of 2 in 1h1l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 1h1l. 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: His440, A: Cit1479, A: Cfm1480, A: Hoh2303, A: Hoh2304, A: Hoh2306, A: Hoh2307, conact list: Atom Atom Distance (A) Mo NE2 A:His440 4.38 Mo CB A:His440 3.66 Mo ND1 A:His440 2.29 Mo CD2 A:His440 4.43 Mo CE1 A:His440 3.23 Mo CG A:His440 3.33 Mo CA A:His440 4.61 Mo C6 A:Cit1479 3.17 Mo O5 A:Cit1479 2.31 Mo C5 A:Cit1479 4.45 Mo O2 A:Cit1479 3.96 Mo C4 A:Cit1479 4.40 Mo C1 A:Cit1479 4.51 Mo C3 A:Cit1479 3.24 Mo O7 A:Cit1479 2.25 Mo O3 A:Cit1479 4.99 Mo O4 A:Cit1479 4.46 Mo O6 A:Cit1479 4.36 Mo C2 A:Cit1479 4.01 Mo S3B A:Cfm1480 2.35 Mo FE6 A:Cfm1480 2.70 Mo S1B A:Cfm1480 2.36 Mo FE7 A:Cfm1480 2.64 Mo S4B A:Cfm1480 2.32 Mo S5 A:Cfm1480 4.79 Mo MO1 A:Cfm1480 0.00 Mo FE5 A:Cfm1480 2.69 Mo S3A A:Cfm1480 4.84 Mo S2B A:Cfm1480 4.86 Mo O A:Hoh2303 4.92 Mo O A:Hoh2304 3.99 Mo O A:Hoh2306 2.30 Mo O A:Hoh2307 2.26 interactive model: Molybdenum binding site 2 out of 2 in 1h1l Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 1h1l. 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: His440, C: Cit1479, C: Cfm1480, C: Hoh2214, C: Hoh2276, C: Hoh2277, C: Hoh2281, conact list: Atom Atom Distance (A) Mo NE2 C:His440 4.51 Mo CB C:His440 3.64 Mo ND1 C:His440 2.38 Mo CD2 C:His440 4.51 Mo CE1 C:His440 3.39 Mo CG C:His440 3.38 Mo CA C:His440 4.68 Mo C6 C:Cit1479 3.12 Mo O5 C:Cit1479 2.27 Mo C5 C:Cit1479 4.61 Mo O2 C:Cit1479 4.03 Mo C4 C:Cit1479 4.36 Mo C1 C:Cit1479 4.61 Mo C3 C:Cit1479 3.23 Mo O7 C:Cit1479 2.25 Mo O3 C:Cit1479 4.89 Mo O6 C:Cit1479 4.30 Mo C2 C:Cit1479 4.21 Mo S3B C:Cfm1480 2.38 Mo FE6 C:Cfm1480 2.68 Mo S1B C:Cfm1480 2.38 Mo FE2 C:Cfm1480 4.99 Mo FE7 C:Cfm1480 2.66 Mo S4B C:Cfm1480 2.31 Mo S5 C:Cfm1480 4.78 Mo MO1 C:Cfm1480 0.00 Mo FE5 C:Cfm1480 2.67 Mo S3A C:Cfm1480 4.85 Mo S2B C:Cfm1480 4.83 Mo O C:Hoh2214 4.85 Mo O C:Hoh2276 2.25 Mo O C:Hoh2277 2.23 Mo O C:Hoh2281 3.97 interactive model: