Magnesium in PDB 8tiy: 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 1 Sticky Bases 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 1 Sticky Bases and 3' Terminal Phosphates and Crosslinked with Edc., PDB code: 8tiy 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)	36.82 / 3.11
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.644, 128.328, 137.221, 90, 90, 90
R / Rfree (%)	20.5 / 23.1

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 1 Sticky Bases and 3' Terminal Phosphates and Crosslinked with Edc. (pdb code 8tiy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where 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 1 Sticky Bases and 3' Terminal Phosphates and Crosslinked with Edc., PDB code: 8tiy:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 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 1 Sticky Bases 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 1 Sticky Bases and 3' Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:110.2 occ:1.00 OP1 B:DG27 2.1 101.2 1.0 O B:HOH202 2.3 111.4 1.0 O B:HOH201 2.4 119.7 1.0 P B:DG27 3.4 121.7 1.0 OP2 B:DG27 3.9 123.6 1.0 O3' B:DA26 4.3 99.9 1.0 O5' B:DG27 4.4 104.2 1.0 C5' B:DG27 4.7 104.1 1.0

Magnesium binding site 2 out of 3 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 1 Sticky Bases 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 2 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 1 Sticky Bases and 3' Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:120.6 occ:1.00 O6 B:DG28 3.7 96.9 1.0 N7 B:DG28 4.1 100.5 1.0 N7 B:DG27 4.1 107.0 1.0 C6 B:DG28 4.5 102.3 1.0 C8 B:DG27 4.5 108.0 1.0 C5 B:DG27 4.6 104.9 1.0 C5 B:DG28 4.6 107.1 1.0 O4 B:DT29 4.9 115.1 1.0

Magnesium binding site 3 out of 3 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 1 Sticky Bases 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 3 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 1 Sticky Bases and 3' Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:111.5 occ:1.00 OD1 C:ASP81 2.4 121.5 1.0 OE2 C:GLU77 2.5 150.9 1.0 CG C:ASP81 3.3 122.9 1.0 OD2 C:ASP81 3.4 116.3 1.0 CD C:GLU77 3.6 155.6 1.0 OP2 A:DT20 3.8 109.9 1.0 NH2 C:ARG33 3.9 109.2 1.0 OP2 A:DG21 3.9 126.5 1.0 OD2 C:ASP34 4.0 106.2 1.0 CG C:GLU77 4.2 155.9 1.0 N7 A:DG21 4.3 131.5 1.0 O5' A:DT20 4.6 110.1 1.0 P A:DT20 4.6 104.2 1.0 CB C:ASP81 4.7 113.2 1.0 OE1 C:GLU77 4.7 160.1 1.0 C8 A:DG21 4.8 135.6 1.0 CG C:ASP34 4.9 109.5 1.0 OD1 C:ASP34 5.0 107.7 1.0 OP1 A:DT20 5.0 109.6 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.