Magnesium in PDB 8tip: 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 5' 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 5' Terminal Phosphates., PDB code: 8tip 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)	38.85 / 2.79
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.85, 132.913, 136.374, 90, 90, 90
R / Rfree (%)	19.3 / 24

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

Magnesium binding site 1 out of 5 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 5' 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 5' Terminal Phosphates. within 5.0Å range:

Magnesium binding site 2 out of 5 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 5' 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 5' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:76.2 occ:1.00 O B:HOH205 2.1 84.4 1.0 OP1 B:DG27 2.2 89.1 1.0 O B:HOH207 2.5 73.6 1.0 P B:DG27 3.7 70.3 1.0 O B:HOH203 4.3 90.8 1.0 O3' B:DA26 4.4 64.2 1.0 O5' B:DG27 4.5 105.2 1.0 C5' B:DG27 4.6 71.0 1.0 OP2 B:DG27 4.7 142.1 1.0

Magnesium binding site 3 out of 5 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 5' 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 5' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:83.7 occ:1.00 O B:HOH202 2.9 69.4 1.0 N7 B:DG27 4.4 72.3 1.0 O6 B:DG28 4.5 68.8 1.0 N7 B:DG28 4.5 75.7 1.0 C8 B:DG27 4.7 87.2 1.0 O4 B:DT29 4.8 72.7 1.0 O A:HOH201 4.9 124.5 1.0

Magnesium binding site 4 out of 5 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 5' 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 5' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:95.6 occ:1.00 O C:HOH402 2.0 112.5 1.0 O C:HOH401 2.0 110.8 1.0 OD1 C:ASP81 2.2 64.7 1.0 OE2 C:GLU77 2.3 129.0 1.0 O C:HOH404 2.3 66.5 1.0 O C:HOH403 2.5 76.8 1.0 CG C:ASP81 3.3 75.1 1.0 CD C:GLU77 3.4 113.8 1.0 OD2 C:ASP81 3.6 72.8 1.0 CG C:GLU77 4.0 81.9 1.0 OD2 C:ASP34 4.0 120.3 1.0 OP2 A:DT20 4.2 82.1 1.0 NH2 C:ARG33 4.4 110.2 1.0 OP2 A:DG21 4.5 92.5 1.0 OE1 C:GLU77 4.5 97.8 1.0 CB C:ASP81 4.6 88.6 1.0 N7 A:DG21 4.6 91.1 1.0 O C:GLU77 4.9 95.3 1.0 CA C:ASP81 4.9 64.9 1.0 CG C:ASP34 5.0 91.8 1.0

Magnesium binding site 5 out of 5 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 5' 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 5' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:93.0 occ:1.00 NE2 C:GLN234 3.2 84.6 1.0 CD C:ARG233 3.4 93.8 1.0 OE1 C:GLN234 3.5 112.5 1.0 CD C:GLN234 3.7 103.4 1.0 CB C:ARG233 3.9 100.4 1.0 O3' A:DC8 4.0 86.0 1.0 NH1 C:ARG233 4.2 148.8 1.0 CG C:ARG233 4.2 78.7 1.0 C4' A:DC8 4.4 83.5 1.0 C2' A:DC8 4.4 87.1 1.0 C3' A:DC8 4.6 64.5 1.0 NE C:ARG233 4.6 108.1 1.0 N C:ARG233 4.8 69.9 1.0 CA C:ARG233 4.9 85.1 1.0 CZ C:ARG233 4.9 119.6 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.