Magnesium in PDB 8tiz: 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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates and Crosslinked with Edc., PDB code: 8tiz 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)	38.98 / 3.11
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.22, 127.633, 137.433, 90, 90, 90
R / Rfree (%)	19.2 / 21.7

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 2 Sticky Base Overhangs and No Terminal Phosphates and Crosslinked with Edc. (pdb code 8tiz). 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 2 Sticky Base Overhangs and No Terminal Phosphates and Crosslinked with Edc., PDB code: 8tiz:
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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:103.4 occ:1.00 OP1 A:DC4 3.3 115.2 1.0 P A:DC4 4.3 125.0 1.0 OP2 A:DC4 4.4 105.4 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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:79.6 occ:1.00 OP1 B:DG27 1.9 74.6 1.0 O B:HOH206 2.1 85.2 1.0 O B:HOH207 2.5 90.4 1.0 P B:DG27 3.3 79.9 1.0 O B:HOH202 4.0 87.0 1.0 O5' B:DG27 4.2 82.8 1.0 O3' B:DA26 4.2 74.6 1.0 OP2 B:DG27 4.2 88.7 1.0 C5' B:DG27 4.4 74.5 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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:89.4 occ:1.00 O B:HOH203 2.1 106.2 1.0 O B:HOH201 2.1 81.1 1.0 O6 B:DG28 4.5 77.2 1.0 N7 B:DG28 4.6 78.4 1.0 N7 B:DG27 4.6 78.3 1.0 O A:HOH202 4.8 89.1 1.0 O4 B:DT29 4.9 86.2 1.0 C8 B:DG27 4.9 76.6 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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates and Crosslinked with Edc. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:125.5 occ:1.00 O C:HOH403 1.9 102.0 1.0 O C:HOH402 1.9 105.2 1.0 OD1 C:ASP81 2.1 106.1 1.0 OE2 C:GLU77 2.2 141.3 1.0 O C:HOH401 2.4 110.1 1.0 CG C:ASP81 3.2 104.0 1.0 CD C:GLU77 3.4 135.9 1.0 OD2 C:ASP81 3.6 103.8 1.0 CG C:GLU77 4.1 142.1 1.0 OD2 C:ASP34 4.1 104.3 1.0 OE1 C:GLU77 4.3 135.0 1.0 CB C:ASP81 4.4 96.3 1.0 CD C:LYS80 4.5 118.9 1.0 OP2 A:DT20 4.6 92.9 1.0 O C:GLU77 4.6 123.9 1.0 CA C:ASP81 4.6 97.9 1.0 N C:ASP81 4.7 97.7 1.0 N7 A:DG21 4.7 112.6 1.0 OP2 A:DG21 4.8 116.6 1.0 NH2 C:ARG33 4.9 97.0 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.