Magnesium in PDB 8tix: 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 5' 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 5' Terminal Phosphates and Crosslinked with Edc., PDB code: 8tix 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)	37.02 / 2.91
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.031, 128.453, 136.808, 90, 90, 90
R / Rfree (%)	19.7 / 22.8

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 5' Terminal Phosphates and Crosslinked with Edc. (pdb code 8tix). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 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 5' Terminal Phosphates and Crosslinked with Edc., PDB code: 8tix:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 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 5' 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 5' Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:88.6 occ:1.00 OP1 A:DC4 3.3 122.8 1.0 P A:DC4 4.3 134.0 1.0 OP2 A:DC4 4.4 116.8 1.0

Magnesium binding site 2 out of 4 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 5' 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 5' Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:123.0 occ:1.00 O B:HOH204 1.9 77.5 1.0 OP1 B:DG27 2.6 85.3 1.0 O B:HOH205 3.6 114.4 1.0 P B:DG27 3.9 84.6 1.0 O5' B:DG27 4.5 86.6 1.0 OP2 B:DG27 4.5 99.2 1.0 C5' B:DG27 4.8 85.2 1.0 O3' B:DA26 5.0 70.0 1.0

Magnesium binding site 3 out of 4 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 5' 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 5' Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:74.3 occ:1.00 O B:HOH202 2.3 97.2 1.0 O6 B:DG28 4.4 85.0 1.0 N7 B:DG27 4.9 85.2 1.0

Magnesium binding site 4 out of 4 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 5' 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 4 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 5' Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:119.0 occ:1.00 O A:HOH201 1.9 95.7 1.0 O C:HOH402 1.9 81.4 1.0 OD1 C:ASP81 1.9 94.7 1.0 O C:HOH403 2.3 87.1 1.0 O C:HOH401 2.3 93.2 1.0 OE2 C:GLU77 2.3 111.1 1.0 CG C:ASP81 2.7 84.0 1.0 OD2 C:ASP81 2.8 84.0 1.0 CD C:GLU77 3.3 109.3 1.0 CG C:GLU77 3.5 117.3 1.0 O C:GLU77 4.0 100.3 1.0 CB C:ASP81 4.1 78.2 1.0 OD2 C:ASP34 4.4 72.7 1.0 OP2 A:DG21 4.4 95.0 1.0 OE1 C:GLU77 4.4 114.4 1.0 NH2 C:ARG33 4.4 73.9 1.0 CA C:ASP81 4.6 78.7 1.0 N7 A:DG21 4.7 102.5 1.0 N C:ASP81 4.7 78.2 1.0 CB C:GLU77 4.9 112.4 1.0 C C:GLU77 4.9 98.2 1.0 OP2 A:DT20 5.0 82.8 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.