Molybdenum in the structure of Crystal Structure of Mgadp Bound AV2-AV1 Complex (pdb 2afi)

The binding sites of Molybdenum atom in the structure of Crystal Structure of Mgadp Bound AV2-AV1 Complex (pdb code 2afi). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 2afi structure was solved by F.A.TEZCAN, J.T.KAISER, D.MUSTAFI, M.Y.WALTON, J.B.HOWARD, D.C.REES, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 49.4-3.1 Space group P1 a (A) 72.915 b (A) 141.432 c (A) 165.549 alpha (°) 73.69 beta (°) 79.37 gamma (°) 76.58 Rfactor (%) 22.9 Rfree (%) 27 Molybdenum Binding Sites: Molybdenum binding site 1 out of 4 in 2afi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 2afi. 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: His442, A: Hca494, A: Cfn496, conact list: Atom Atom Distance (A) Mo NE2 A:His442 4.24 Mo CB A:His442 3.80 Mo ND1 A:His442 2.28 Mo CD2 A:His442 4.41 Mo CE1 A:His442 3.07 Mo CG A:His442 3.37 Mo CA A:His442 4.53 Mo O5 A:Hca494 2.12 Mo C1 A:Hca494 4.69 Mo C2 A:Hca494 3.93 Mo C5 A:Hca494 4.20 Mo O2 A:Hca494 4.34 Mo C7 A:Hca494 2.90 Mo C4 A:Hca494 4.17 Mo C3 A:Hca494 3.04 Mo O7 A:Hca494 2.21 Mo O6 A:Hca494 4.07 Mo S3B A:Cfn496 2.31 Mo FE6 A:Cfn496 2.77 Mo S1B A:Cfn496 2.38 Mo NX A:Cfn496 3.56 Mo FE7 A:Cfn496 2.69 Mo S4B A:Cfn496 2.31 Mo MO1 A:Cfn496 0.00 Mo FE3 A:Cfn496 4.99 Mo FE5 A:Cfn496 2.74 Mo S3A A:Cfn496 4.88 Mo S5A A:Cfn496 4.79 Mo S2B A:Cfn496 4.89 interactive model: Molybdenum binding site 2 out of 4 in 2afi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 2afi. 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: His442, C: Hca494, C: Cfn496, conact list: Atom Atom Distance (A) Mo NE2 C:His442 4.24 Mo CB C:His442 3.90 Mo ND1 C:His442 2.31 Mo CD2 C:His442 4.45 Mo CE1 C:His442 3.03 Mo CG C:His442 3.44 Mo CA C:His442 4.67 Mo O5 C:Hca494 2.16 Mo C1 C:Hca494 4.55 Mo C2 C:Hca494 3.84 Mo C5 C:Hca494 4.16 Mo O2 C:Hca494 4.19 Mo C7 C:Hca494 2.91 Mo C4 C:Hca494 4.17 Mo C3 C:Hca494 3.01 Mo O7 C:Hca494 2.17 Mo O6 C:Hca494 4.08 Mo S3B C:Cfn496 2.31 Mo FE6 C:Cfn496 2.68 Mo S1B C:Cfn496 2.27 Mo NX C:Cfn496 3.58 Mo FE7 C:Cfn496 2.76 Mo S4B C:Cfn496 2.39 Mo MO1 C:Cfn496 0.00 Mo FE5 C:Cfn496 2.73 Mo S3A C:Cfn496 4.85 Mo S5A C:Cfn496 4.92 Mo S2B C:Cfn496 4.76 interactive model: Molybdenum binding site 3 out of 4 in 2afi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Molybdenum in the PDB 2afi. 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: I: His442, I: Hca494, I: Cfn496, conact list: Atom Atom Distance (A) Mo NE2 I:His442 4.19 Mo CB I:His442 3.81 Mo ND1 I:His442 2.26 Mo CD2 I:His442 4.38 Mo CE1 I:His442 3.01 Mo CG I:His442 3.36 Mo CA I:His442 4.58 Mo O5 I:Hca494 2.12 Mo C1 I:Hca494 4.66 Mo C2 I:Hca494 3.92 Mo C5 I:Hca494 4.18 Mo O2 I:Hca494 4.28 Mo C7 I:Hca494 2.93 Mo C4 I:Hca494 4.18 Mo C3 I:Hca494 3.07 Mo O7 I:Hca494 2.22 Mo O6 I:Hca494 4.09 Mo S3B I:Cfn496 2.27 Mo FE6 I:Cfn496 2.71 Mo S1B I:Cfn496 2.34 Mo NX I:Cfn496 3.54 Mo FE7 I:Cfn496 2.66 Mo S4B I:Cfn496 2.34 Mo MO1 I:Cfn496 0.00 Mo FE4 I:Cfn496 4.97 Mo FE3 I:Cfn496 4.98 Mo FE5 I:Cfn496 2.71 Mo S3A I:Cfn496 4.81 Mo S5A I:Cfn496 4.81 Mo S2B I:Cfn496 4.87 interactive model: Molybdenum binding site 4 out of 4 in 2afi Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Molybdenum in the PDB 2afi. 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: K: His442, K: Hca494, K: Cfn496, conact list: Atom Atom Distance (A) Mo NE2 K:His442 4.24 Mo CB K:His442 3.89 Mo ND1 K:His442 2.33 Mo CD2 K:His442 4.43 Mo CE1 K:His442 3.05 Mo CG K:His442 3.43 Mo CA K:His442 4.61 Mo O5 K:Hca494 2.15 Mo C1 K:Hca494 4.62 Mo C2 K:Hca494 3.90 Mo C5 K:Hca494 4.15 Mo O2 K:Hca494 4.24 Mo C7 K:Hca494 2.93 Mo C4 K:Hca494 4.16 Mo C3 K:Hca494 3.05 Mo O7 K:Hca494 2.20 Mo O6 K:Hca494 4.10 Mo S3B K:Cfn496 2.31 Mo FE6 K:Cfn496 2.71 Mo S1B K:Cfn496 2.35 Mo NX K:Cfn496 3.57 Mo FE7 K:Cfn496 2.68 Mo S4B K:Cfn496 2.32 Mo MO1 K:Cfn496 0.00 Mo FE5 K:Cfn496 2.71 Mo S3A K:Cfn496 4.84 Mo S5A K:Cfn496 4.82 Mo S2B K:Cfn496 4.86 interactive model: