Manganese in the structure of The Three-Dimensional Structure of Mntc From Synechocystis 6803 (pdb 1xvl)

The binding sites of Manganese atom in the structure of The Three-Dimensional Structure of Mntc From Synechocystis 6803 (pdb code 1xvl). This binding sites where shown with 5.0 Angstroms radius around Manganese atom. The 1xvl structure was solved by V.RUKHMAN, R.ANATI, M.MELAMED-FRANK, M.BHATTACHARYYA-PAKRASI, H.B.PAKRASI, N.ADIR, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 8.0-2.9 Space group P3121 a (A) 128.553 b (A) 128.553 c (A) 91.050 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 23.4 Rfree (%) 28.9 Manganese Binding Sites: Manganese binding site 1 out of 3 in 1xvl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 1xvl. 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: A: His89, A: His154, A: Glu220, A: Ala222, A: Asn241, A: Asp295, conact list: Atom Atom Distance (A) Mn NE2 A:His89 2.32 Mn ND1 A:His89 4.37 Mn CD2 A:His89 3.03 Mn CE1 A:His89 3.40 Mn CG A:His89 4.23 Mn NE2 A:His154 2.29 Mn ND1 A:His154 4.31 Mn CD2 A:His154 3.33 Mn CE1 A:His154 3.16 Mn CG A:His154 4.40 Mn OE1 A:Glu220 1.60 Mn CB A:Glu220 4.57 Mn OE2 A:Glu220 2.52 Mn CD A:Glu220 2.38 Mn CG A:Glu220 3.86 Mn CB A:Ala222 4.34 Mn ND2 A:Asn241 3.87 Mn OD1 A:Asn241 4.45 Mn CG A:Asn241 4.29 Mn CB A:Asp295 4.00 Mn OD2 A:Asp295 1.60 Mn OD1 A:Asp295 3.08 Mn CG A:Asp295 2.66 interactive model: Manganese binding site 2 out of 3 in 1xvl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 1xvl. 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: His89, B: His154, B: Glu220, B: Ala222, B: Asn241, B: Asp295, conact list: Atom Atom Distance (A) Mn NE2 B:His89 2.17 Mn ND1 B:His89 4.16 Mn CD2 B:His89 3.18 Mn CE1 B:His89 3.04 Mn CG B:His89 4.26 Mn NE2 B:His154 2.22 Mn ND1 B:His154 4.31 Mn CD2 B:His154 3.09 Mn CE1 B:His154 3.25 Mn CG B:His154 4.26 Mn OE1 B:Glu220 3.04 Mn CB B:Glu220 4.59 Mn OE2 B:Glu220 1.65 Mn CD B:Glu220 2.68 Mn CG B:Glu220 4.08 Mn CB B:Ala222 4.42 Mn CB B:Asn241 4.92 Mn ND2 B:Asn241 4.41 Mn OD1 B:Asn241 3.93 Mn CG B:Asn241 4.19 Mn CB B:Asp295 3.89 Mn OD2 B:Asp295 1.61 Mn OD1 B:Asp295 2.74 Mn CG B:Asp295 2.48 interactive model: Manganese binding site 3 out of 3 in 1xvl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Manganese in the PDB 1xvl. 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: His89, C: Leu114, C: His154, C: Glu220, C: Ala222, C: Asn241, C: Asp295, conact list: Atom Atom Distance (A) Mn NE2 C:His89 1.96 Mn ND1 C:His89 4.08 Mn CD2 C:His89 2.77 Mn CE1 C:His89 3.06 Mn CG C:His89 3.98 Mn CD1 C:Leu114 4.89 Mn NE2 C:His154 2.59 Mn ND1 C:His154 4.73 Mn CD2 C:His154 3.23 Mn CE1 C:His154 3.75 Mn CG C:His154 4.52 Mn OE1 C:Glu220 2.02 Mn OE2 C:Glu220 2.72 Mn CD C:Glu220 2.71 Mn CG C:Glu220 4.20 Mn CB C:Ala222 4.68 Mn ND2 C:Asn241 4.26 Mn OD1 C:Asn241 4.47 Mn CG C:Asn241 4.47 Mn CB C:Asp295 3.93 Mn OD2 C:Asp295 1.95 Mn OD1 C:Asp295 2.47 Mn CG C:Asp295 2.49 Mn CA C:Asp295 4.93 interactive model: