Molybdenum in the structure of Crystallographic Structure Of the Molybdate-Binding Protein of Xanthomonas Citri At 1.7 Ang Resolution Bound to Molybdate (pdb 2h5y)

The binding sites of Molybdenum atom in the structure of Crystallographic Structure Of the Molybdate-Binding Protein of Xanthomonas Citri At 1.7 Ang Resolution Bound to Molybdate (pdb code 2h5y). This binding sites where shown with 5.0 Angstroms radius around Molybdenum atom. The 2h5y structure was solved by A.BALAN, C.P.SANTACRUZ, L.C.S.FERREIRA, J.A.R.G.BARBOSA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.1-1.7 Space group C2221 a (A) 68.153 b (A) 172.138 c (A) 112.036 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 16.7 Rfree (%) 20.2 Molybdenum Binding Sites: Molybdenum binding site 1 out of 3 in 2h5y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Molybdenum in the PDB 2h5y. 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: Ala10, A: Ala11, A: Ser12, A: Ala37, A: Ala38, A: Ser39, A: Ala58, A: Val123, A: Pro124, A: Ala125, A: Val152, A: Tyr170, A: Moo1300, conact list: Atom Atom Distance (A) Mo C A:Ala10 4.74 Mo CB A:Ala10 4.25 Mo CA A:Ala10 4.72 Mo N A:Ala11 4.14 Mo CB A:Ala11 4.50 Mo CA A:Ala11 4.80 Mo N A:Ser12 4.40 Mo CB A:Ser12 4.79 Mo OG A:Ser12 4.27 Mo O A:Ala37 4.95 Mo C A:Ala38 4.95 Mo CA A:Ala38 4.46 Mo N A:Ser39 4.33 Mo OG A:Ser39 4.20 Mo CB A:Ala58 3.87 Mo CG1 A:Val123 4.18 Mo N A:Pro124 4.73 Mo CB A:Pro124 4.58 Mo CD A:Pro124 4.16 Mo CG A:Pro124 4.60 Mo N A:Ala125 4.49 Mo CB A:Ala125 4.76 Mo N A:Val152 4.21 Mo CB A:Val152 4.18 Mo CG1 A:Val152 3.96 Mo CA A:Val152 4.84 Mo CE2 A:Tyr170 4.13 Mo CZ A:Tyr170 4.66 Mo OH A:Tyr170 4.17 Mo O1 A:Moo1300 1.75 Mo MO A:Moo1300 0.00 Mo O2 A:Moo1300 1.76 Mo O4 A:Moo1300 1.76 Mo O3 A:Moo1300 1.78 interactive model: Molybdenum binding site 2 out of 3 in 2h5y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Molybdenum in the PDB 2h5y. 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: B: Ala10, B: Ala11, B: Ser12, B: Ala37, B: Ala38, B: Ser39, B: Ala58, B: Val123, B: Pro124, B: Ala125, B: Val152, B: Tyr170, B: Moo2300, conact list: Atom Atom Distance (A) Mo C B:Ala10 4.74 Mo CB B:Ala10 4.24 Mo CA B:Ala10 4.69 Mo N B:Ala11 4.15 Mo CB B:Ala11 4.50 Mo CA B:Ala11 4.78 Mo N B:Ser12 4.37 Mo CB B:Ser12 4.77 Mo OG B:Ser12 4.26 Mo O B:Ala37 4.97 Mo C B:Ala38 4.88 Mo CB B:Ala38 4.91 Mo CA B:Ala38 4.37 Mo N B:Ser39 4.28 Mo OG B:Ser39 4.27 Mo CB B:Ala58 3.84 Mo CG1 B:Val123 4.12 Mo N B:Pro124 4.71 Mo CB B:Pro124 4.43 Mo CD B:Pro124 4.14 Mo CG B:Pro124 4.52 Mo N B:Ala125 4.47 Mo CB B:Ala125 4.69 Mo N B:Val152 4.27 Mo CB B:Val152 4.19 Mo CG1 B:Val152 3.90 Mo CA B:Val152 4.87 Mo CE2 B:Tyr170 4.14 Mo CZ B:Tyr170 4.67 Mo OH B:Tyr170 4.15 Mo O1 B:Moo2300 1.73 Mo MO B:Moo2300 0.00 Mo O2 B:Moo2300 1.78 Mo O4 B:Moo2300 1.75 Mo O3 B:Moo2300 1.76 interactive model: Molybdenum binding site 3 out of 3 in 2h5y Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Molybdenum in the PDB 2h5y. 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: Ala10, C: Ala11, C: Ser12, C: Ala38, C: Ser39, C: Ala58, C: Val123, C: Pro124, C: Ala125, C: Val152, C: Tyr170, C: Moo3300, conact list: Atom Atom Distance (A) Mo C C:Ala10 4.79 Mo CB C:Ala10 4.23 Mo CA C:Ala10 4.77 Mo N C:Ala11 4.22 Mo CB C:Ala11 4.46 Mo CA C:Ala11 4.80 Mo N C:Ser12 4.35 Mo CB C:Ser12 4.76 Mo OG C:Ser12 4.27 Mo C C:Ala38 4.96 Mo CA C:Ala38 4.47 Mo N C:Ser39 4.33 Mo CB C:Ser39 4.99 Mo OG C:Ser39 4.28 Mo CB C:Ala58 3.82 Mo CG1 C:Val123 4.19 Mo N C:Pro124 4.71 Mo CB C:Pro124 4.37 Mo CD C:Pro124 4.22 Mo CG C:Pro124 4.54 Mo N C:Ala125 4.43 Mo CB C:Ala125 4.81 Mo N C:Val152 4.23 Mo CB C:Val152 4.22 Mo CG1 C:Val152 3.95 Mo CA C:Val152 4.87 Mo CE2 C:Tyr170 4.14 Mo CZ C:Tyr170 4.66 Mo OH C:Tyr170 4.15 Mo O1 C:Moo3300 1.75 Mo MO C:Moo3300 0.00 Mo O2 C:Moo3300 1.78 Mo O4 C:Moo3300 1.78 Mo O3 C:Moo3300 1.79 interactive model: