Manganese in PDB 6we1: Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site

The structure of Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site, PDB code: 6we1 was solved by K.Tompkins, L.A.Litzau, L.Pornschloegl, A.T.Nelson, R.L.Evans Iii, W.R.Gordon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.55 / 2.61
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	50.626, 50.626, 241.977, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 24.4

The binding sites of Manganese atom in the Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site (pdb code 6we1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site, PDB code: 6we1:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:35.4 occ:1.00 OP1 C:DA306 1.9 43.0 1.0 NE2 A:HIS59 1.9 41.2 1.0 OE2 A:GLU110 2.0 40.9 1.0 OE1 A:GLU110 2.0 44.7 1.0 NE2 A:HIS61 2.1 39.4 1.0 CD A:GLU110 2.3 47.2 1.0 CD2 A:HIS61 2.7 41.8 1.0 CD2 A:HIS59 2.9 44.5 1.0 CE1 A:HIS59 2.9 41.3 1.0 P C:DA306 3.1 37.3 1.0 CE1 A:HIS61 3.3 41.3 1.0 O3' C:DT305 3.4 42.9 1.0 O5' C:DA306 3.5 40.5 1.0 CG A:GLU110 3.8 48.1 1.0 CE2 A:PHE106 3.9 44.0 1.0 CG A:HIS61 4.0 37.5 1.0 ND1 A:HIS59 4.0 41.8 1.0 CG A:HIS59 4.0 47.2 1.0 ND1 A:HIS61 4.2 40.2 1.0 CZ A:PHE106 4.2 41.5 1.0 OP2 C:DA306 4.4 42.3 1.0 CB A:GLU51 4.5 46.4 1.0 CB A:GLU110 4.7 47.6 1.0 C3' C:DT305 4.8 46.4 1.0 C5' C:DA306 4.9 37.7 1.0 CD2 A:PHE106 5.0 44.0 1.0

Manganese binding site 2 out of 3 in the Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn401 b:51.5 occ:1.00 OP2 F:DC307 1.9 44.8 1.0 O D:HOH301 1.9 33.4 1.0 OP2 C:DC307 2.0 48.3 1.0 O C:HOH503 2.1 37.2 1.0 O C:HOH501 2.2 39.9 1.0 P C:DC307 3.3 43.8 1.0 P F:DC307 3.3 46.1 1.0 C3' C:DA306 3.9 41.3 1.0 OP1 C:DC307 3.9 45.7 1.0 C3' F:DA306 3.9 43.2 1.0 O3' F:DA306 4.0 45.3 1.0 O3' C:DA306 4.1 44.4 1.0 C2' F:DA306 4.2 38.4 1.0 OP1 F:DC307 4.2 46.9 1.0 C2' C:DA306 4.3 39.6 1.0 O5' F:DC307 4.3 46.5 1.0 O5' C:DC307 4.5 39.2 1.0 C8 C:DA306 4.6 38.2 1.0 C8 F:DA306 4.7 41.1 1.0 NE2 D:GLN95 4.9 32.7 1.0 C6 F:DC307 4.9 43.7 1.0 C5 F:DC307 5.0 40.5 1.0

Manganese binding site 3 out of 3 in the Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Wheat Dwarf Virus Rep Domain Complexed with A Single-Stranded Dna 8- Mer Comprising the Cleavage Site within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn201 b:39.7 occ:1.00 OE2 D:GLU110 1.7 54.6 1.0 OP1 F:DA306 1.9 47.9 1.0 NE2 D:HIS59 2.0 37.7 1.0 NE2 D:HIS61 2.0 42.5 1.0 CD D:GLU110 2.5 58.0 1.0 OE1 D:GLU110 2.7 56.7 1.0 CD2 D:HIS61 2.8 41.5 1.0 CD2 D:HIS59 2.9 41.7 1.0 CE1 D:HIS59 3.0 43.4 1.0 CE1 D:HIS61 3.1 45.9 1.0 P F:DA306 3.2 45.7 1.0 O3' F:DT305 3.5 43.6 1.0 O5' F:DA306 3.7 42.4 1.0 CG D:GLU110 3.9 61.8 1.0 CG D:HIS59 4.0 43.5 1.0 CG D:HIS61 4.1 37.2 1.0 ND1 D:HIS59 4.1 42.0 1.0 ND1 D:HIS61 4.2 44.0 1.0 CE2 D:PHE106 4.2 48.5 1.0 CZ D:PHE106 4.4 47.1 1.0 OP2 F:DA306 4.5 47.9 1.0 CB D:GLU51 4.5 55.5 1.0 C3' F:DT305 4.8 43.2 1.0 C5' F:DA306 4.9 41.5 1.0 CB D:GLU110 5.0 60.2 1.0

K.Tompkins, K.Tompkins, L.A.Litzau, L.Pornschloegl, A.T.Nelson, R.L.Evans Iii, W.R.Gordon. N/A N/A.