Magnesium in PDB 8tiq: 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.

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., PDB code: 8tiq was solved by A.R.Orun, E.T.Shields, C.K.Slaughter, R.Shrestha, C.D.Snow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.17 / 2.45
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.828, 130.67, 137.896, 90, 90, 90
R / Rfree (%)	21.9 / 26.7

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 Blunt Ends and 3' Terminal Phosphates. (pdb code 8tiq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 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 Blunt Ends and 3' Terminal Phosphates., PDB code: 8tiq:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 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.


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. within 5.0Å range:

Magnesium binding site 2 out of 6 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.


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 Blunt Ends and 3' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:71.1 occ:1.00 OP1 B:DG27 2.2 72.7 1.0 O B:HOH206 2.3 66.6 1.0 O B:HOH207 2.5 72.5 1.0 P B:DG27 3.6 89.5 1.0 OP2 B:DG27 4.2 90.4 1.0 O3' B:DA26 4.4 80.2 1.0 O5' B:DG27 4.5 82.7 1.0 C5' B:DG27 4.7 82.6 1.0

Magnesium binding site 3 out of 6 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.


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 Blunt Ends and 3' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:91.3 occ:1.00 O B:HOH204 2.1 65.0 1.0 O B:HOH202 2.7 68.7 1.0 O6 B:DG28 4.2 63.5 1.0 N7 B:DG27 4.4 74.2 1.0 O B:HOH208 4.5 95.8 1.0 O A:HOH202 4.5 77.4 1.0 N7 B:DG28 4.6 67.8 1.0 O4 B:DT29 4.7 71.8 1.0 C8 B:DG27 4.7 106.8 1.0

Magnesium binding site 4 out of 6 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.


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 Blunt Ends and 3' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:87.6 occ:1.00 O C:HOH401 2.1 87.0 1.0 OE2 C:GLU77 2.1 140.9 1.0 O C:HOH403 2.3 55.0 1.0 O C:HOH402 2.4 80.3 1.0 O C:HOH404 2.4 81.8 1.0 OD1 C:ASP81 2.4 79.3 1.0 CD C:GLU77 3.2 99.6 1.0 CG C:ASP81 3.3 83.6 1.0 OD2 C:ASP81 3.5 74.7 1.0 CG C:GLU77 3.9 87.5 1.0 OP2 A:DG21 4.2 85.4 1.0 N7 A:DG21 4.2 97.1 1.0 OE1 C:GLU77 4.3 88.3 1.0 OP2 A:DT20 4.3 76.6 1.0 OD2 C:ASP34 4.5 79.8 1.0 NH2 C:ARG33 4.5 82.6 1.0 C8 A:DG21 4.6 85.4 1.0 CB C:ASP81 4.8 86.2 1.0 O C:GLU77 4.9 105.7 1.0 C7 A:DT20 5.0 80.9 1.0

Magnesium binding site 5 out of 6 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.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 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. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:93.2 occ:1.00 NE2 C:GLN234 3.3 91.8 1.0 O C:HOH405 3.4 71.2 1.0 O3' A:DC8 3.7 68.3 1.0 C4' A:DC8 3.7 92.3 1.0 C2' A:DC8 4.0 91.9 1.0 OE1 C:GLN234 4.0 83.4 1.0 C3' A:DC8 4.1 70.5 1.0 NE C:ARG233 4.1 99.8 1.0 CD C:GLN234 4.1 82.0 1.0 CD C:ARG233 4.4 96.3 1.0 CB C:ARG233 4.4 86.5 1.0 O4' A:DC8 4.4 71.3 1.0 C1' A:DC8 4.5 68.5 1.0 CG C:ARG233 4.6 82.4 1.0 C5' A:DC8 4.8 62.5 1.0

Magnesium binding site 6 out of 6 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.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 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. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg303 b:110.9 occ:1.00 OP1 B:DG21 3.8 75.5 1.0 OH C:TYR161 4.1 96.6 1.0 OP1 A:DT19 4.3 77.7 1.0 CG C:PRO160 4.4 57.3 1.0 CZ C:TYR161 4.6 62.6 1.0 CE2 C:TYR161 4.8 66.9 1.0

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