Magnesium in PDB 8tiw: Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence with Blunt Ends and 3' Terminal Phosphates and Crosslinked with Edc.

The structure of Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence with Blunt Ends and 3' Terminal Phosphates and Crosslinked with Edc., PDB code: 8tiw was solved by A.R.Orun, E.T.Shields, R.Shrestha, C.K.Slaughter, C.D.Snow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.83 / 3.11
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	72.878, 133.797, 134.885, 90, 90, 90
R / Rfree (%)	20 / 21.2

The binding sites of Magnesium atom in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence with Blunt Ends and 3' Terminal Phosphates and Crosslinked with Edc. (pdb code 8tiw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence with Blunt Ends and 3' Terminal Phosphates and Crosslinked with Edc., PDB code: 8tiw:

Magnesium binding site 1 out of 1 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence with Blunt Ends and 3' Terminal Phosphates and Crosslinked with Edc.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence with Blunt Ends and 3' Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:115.2 occ:1.00 OE2 C:GLU77 2.0 131.4 1.0 OD1 C:ASP81 2.0 109.9 1.0 O A:HOH101 2.1 114.2 1.0 O C:HOH403 2.1 104.9 1.0 O C:HOH401 2.5 98.6 1.0 O C:HOH402 2.5 91.0 1.0 CG C:ASP81 2.7 98.1 1.0 OD2 C:ASP81 2.7 93.6 1.0 CD C:GLU77 2.9 133.9 1.0 CG C:GLU77 3.2 137.3 1.0 O C:GLU77 3.9 127.2 1.0 OE1 C:GLU77 4.1 141.6 1.0 CB C:ASP81 4.1 92.9 1.0 OP2 A:DG21 4.4 122.2 1.0 OD2 C:ASP34 4.4 91.8 1.0 CB C:GLU77 4.6 127.7 1.0 NH2 C:ARG33 4.7 94.3 1.0 CA C:ASP81 4.7 87.1 1.0 C C:GLU77 4.7 129.8 1.0 N C:ASP81 4.7 88.2 1.0 N7 A:DG21 4.8 113.1 1.0 CA C:GLU77 5.0 122.6 1.0

A.R.Orun, A.Vajapayajula, S.Dmytriw, E.T.Shields, C.K.Slaughter, R.Shrestha, C.D.Snow. Tuning Chemical Dna Ligation Within Dna Crystals and Co-Crystals. To Be Published.