Molybdenum in the structure of Crystal Structure of Narghi Mutant Narg-R94S (pdb 3ir7)

The binding sites of Molybdenum atom in the structure of Crystal Structure of Narghi Mutant Narg-R94S (pdb code 3ir7). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 3ir7 structure was solved by M.G.BERTERO, R.A.ROTHERY, J.H.WEINER, N.C.J.STRYNADKA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.0-2.5 Space group C2221 a (A) 153.851 b (A) 241.147 c (A) 139.966 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 20.2 Rfree (%) 24.3 Molybdenum Binding Sites: Molybdenum binding site 1 out of 1 in 3ir7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 3ir7. 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: Asn52, A: Tyr220, A: Asp222, A: Val578, A: Gly579, A: His1092, A: His1098, A: Md11247, A: Md11251, conact list: Atom Atom Distance (A) Mo ND2 A:Asn52 3.97 Mo O A:Tyr220 4.92 Mo CB A:Tyr220 4.29 Mo CD2 A:Tyr220 4.59 Mo CG A:Tyr220 4.90 Mo CB A:Asp222 4.02 Mo OD2 A:Asp222 2.55 Mo OD1 A:Asp222 2.00 Mo CG A:Asp222 2.56 Mo CA A:Asp222 4.95 Mo O A:Val578 4.72 Mo CB A:Val578 4.45 Mo C A:Val578 4.22 Mo CA A:Val578 4.86 Mo N A:Gly579 3.63 Mo CA A:Gly579 3.69 Mo CE1 A:His1092 4.32 Mo CE1 A:His1098 4.53 Mo S13 A:Md11247 2.42 Mo C13 A:Md11247 3.54 Mo C12 A:Md11247 3.56 Mo C14 A:Md11247 4.94 Mo S12 A:Md11247 2.44 Mo S13 A:Md11251 2.43 Mo C13 A:Md11251 3.52 Mo C12 A:Md11251 3.55 Mo C14 A:Md11251 4.95 Mo S12 A:Md11251 2.46 interactive model: