Manganese in the structure of Structure of the 2TEL Crystallization Module Fused to T4 Lysozyme With An Ala-Gly-Pro Linker. (pdb 2qb0)

The binding sites of Manganese atom in the structure of Structure of the 2TEL Crystallization Module Fused to T4 Lysozyme With An Ala-Gly-Pro Linker. (pdb code 2qb0). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 2qb0 structure was solved by S.NAULI, J.U.BOWIE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-2.6 Space group P32 a (A) 122.620 b (A) 122.620 c (A) 53.586 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.1 Rfree (%) 25.2 Manganese Binding Sites: Manganese binding site 1 out of 5 in 2qb0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 2qb0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: Glu104, B: Gly123, B: Arg238, conact list: Atom Atom Distance (A) Mn OE1 B:Glu104 2.27 Mn CB B:Glu104 4.91 Mn OE2 B:Glu104 3.65 Mn CD B:Glu104 3.31 Mn CG B:Glu104 4.65 Mn O B:Gly123 4.42 Mn C B:Gly123 4.72 Mn CA B:Gly123 4.13 Mn NH1 B:Arg238 4.69 interactive model: Manganese binding site 2 out of 5 in 2qb0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 2qb0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: B: His21, B: Leu22, B: Asp33, B: Gln36, B: Asp154, B: Glu157, B: Hoh277, B: Hoh281, B: Hoh286, conact list: Atom Atom Distance (A) Mn O B:His21 3.89 Mn NE2 B:His21 4.18 Mn CB B:His21 3.85 Mn ND1 B:His21 2.29 Mn CD2 B:His21 4.37 Mn C B:His21 4.38 Mn CE1 B:His21 3.02 Mn CG B:His21 3.38 Mn CA B:His21 4.73 Mn CD2 B:Leu22 4.91 Mn CB B:Asp33 4.47 Mn OD2 B:Asp33 3.28 Mn OD1 B:Asp33 2.35 Mn CG B:Asp33 3.12 Mn NE2 B:Gln36 4.94 Mn N B:Asp154 4.60 Mn CB B:Asp154 4.37 Mn OD2 B:Asp154 3.82 Mn OD1 B:Asp154 2.26 Mn CG B:Asp154 3.27 Mn CA B:Asp154 4.27 Mn OE1 B:Glu157 2.36 Mn OE2 B:Glu157 3.70 Mn CD B:Glu157 3.39 Mn CG B:Glu157 4.74 Mn O B:Hoh277 2.16 Mn O B:Hoh281 4.24 Mn O B:Hoh286 2.20 interactive model: Manganese binding site 3 out of 5 in 2qb0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 2qb0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: C: Pro49, C: Ile50, C: Ser74, C: Pro75, C: His76, C: Ser77, C: Hoh212, conact list: Atom Atom Distance (A) Mn O C:Pro49 4.73 Mn CD1 C:Ile50 4.09 Mn O C:Ser74 4.51 Mn CB C:Ser74 3.72 Mn OG C:Ser74 2.99 Mn C C:Ser74 3.86 Mn CA C:Ser74 3.67 Mn N C:Pro75 3.95 Mn CD C:Pro75 3.97 Mn C C:Pro75 4.68 Mn CA C:Pro75 4.83 Mn N C:His76 3.62 Mn CB C:His76 3.76 Mn ND1 C:His76 3.85 Mn C C:His76 4.64 Mn CG C:His76 4.24 Mn CA C:His76 4.16 Mn N C:Ser77 4.16 Mn CB C:Ser77 4.92 Mn OG C:Ser77 4.93 Mn O C:Hoh212 3.14 interactive model: Manganese binding site 4 out of 5 in 2qb0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Manganese in the PDB 2qb0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: Glu104, D: Gly123, D: Arg238, conact list: Atom Atom Distance (A) Mn OE1 D:Glu104 2.29 Mn CB D:Glu104 4.91 Mn OE2 D:Glu104 3.68 Mn CD D:Glu104 3.33 Mn CG D:Glu104 4.67 Mn O D:Gly123 4.49 Mn C D:Gly123 4.78 Mn CA D:Gly123 4.17 Mn NH1 D:Arg238 4.66 interactive model: Manganese binding site 5 out of 5 in 2qb0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Manganese in the PDB 2qb0. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: D: His21, D: Ser30, D: Asp33, D: Asp154, D: Glu157, D: Hoh276, D: Hoh288, conact list: Atom Atom Distance (A) Mn O D:His21 4.77 Mn ND1 D:His21 3.77 Mn CE1 D:His21 4.43 Mn CG D:His21 4.81 Mn OG D:Ser30 4.62 Mn CB D:Asp33 4.53 Mn OD2 D:Asp33 2.67 Mn OD1 D:Asp33 2.68 Mn CG D:Asp33 3.03 Mn N D:Asp154 4.79 Mn CB D:Asp154 4.73 Mn OD2 D:Asp154 4.35 Mn OD1 D:Asp154 2.46 Mn CG D:Asp154 3.67 Mn CA D:Asp154 4.59 Mn OE1 D:Glu157 2.53 Mn OE2 D:Glu157 2.85 Mn CD D:Glu157 3.05 Mn CG D:Glu157 4.55 Mn O D:Hoh276 2.77 Mn O D:Hoh288 4.65 interactive model: