Molybdenum in the structure of The Crystal Structure of the Narghi Mutant Nari-K86A in Complex With Pentachlorophenol (pdb 1y5n)

The binding sites of Molybdenum atom in the structure of The Crystal Structure of the Narghi Mutant Nari-K86A in Complex With Pentachlorophenol (pdb code 1y5n). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 1y5n structure was solved by M.G.BERTERO, R.A.ROTHERY, N.BOROUMAND, M.PALAK, F.BLASCO, N.GINET, J.H.WEINER, N.C.J.STRYNADKA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.8-2.5 Space group C2221 a (A) 154.258 b (A) 241.957 c (A) 140.121 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19 Rfree (%) 23.8 Molybdenum Binding Sites: Molybdenum binding site 1 out of 1 in 1y5n Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 1y5n. 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: Md11800, A: Md12800, conact list: Atom Atom Distance (A) Mo ND2 A:Asn52 4.06 Mo CB A:Tyr220 4.44 Mo CD2 A:Tyr220 4.71 Mo CB A:Asp222 3.86 Mo OD2 A:Asp222 2.25 Mo OD1 A:Asp222 1.99 Mo CG A:Asp222 2.38 Mo CA A:Asp222 4.73 Mo O A:Val578 4.76 Mo CB A:Val578 4.43 Mo C A:Val578 4.25 Mo CA A:Val578 4.88 Mo N A:Gly579 3.67 Mo CA A:Gly579 3.74 Mo CE1 A:His1092 4.36 Mo NE2 A:His1098 4.96 Mo CE1 A:His1098 4.55 Mo S13 A:Md11800 2.42 Mo C13 A:Md11800 3.56 Mo C12 A:Md11800 3.58 Mo C14 A:Md11800 4.95 Mo S12 A:Md11800 2.43 Mo S13 A:Md12800 2.42 Mo C13 A:Md12800 3.49 Mo C12 A:Md12800 3.52 Mo C14 A:Md12800 4.94 Mo S12 A:Md12800 2.46 interactive model: