Magnesium in PDB 8tit: 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.

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., PDB code: 8tit 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)	38.82 / 2.84
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.935, 130.706, 136.176, 90, 90, 90
R / Rfree (%)	20.5 / 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 2 Sticky Base Overhangs and No Terminal Phosphates. (pdb code 8tit). 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 2 Sticky Base Overhangs and No Terminal Phosphates., PDB code: 8tit:
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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:102.0 occ:1.00 OP1 A:DT19 3.5 75.6 1.0 CG C:PRO160 4.5 59.5 1.0 OP1 B:DG21 4.8 67.2 1.0 C5' A:DT19 4.8 81.1 1.0 CA C:SER32 4.9 67.3 1.0 P A:DT19 4.9 94.0 1.0 CB C:SER32 5.0 63.5 1.0

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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:91.8 occ:1.00 OP1 A:DC4 3.3 107.3 1.0 P A:DC4 4.5 108.8 1.0 OP2 A:DC4 4.8 94.2 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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:72.3 occ:1.00 OP1 B:DG27 2.6 66.4 1.0 P B:DG27 4.1 87.2 1.0 O3' B:DA26 4.8 64.7 1.0 C5' B:DG27 4.8 74.8 1.0 O5' B:DG27 4.8 74.5 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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:85.2 occ:1.00 O6 B:DG28 4.4 74.2 1.0 N7 B:DG28 4.5 78.0 1.0 N7 B:DG27 4.6 80.5 1.0 O4 B:DT29 4.7 74.2 1.0 C8 B:DG27 4.9 78.2 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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:88.1 occ:1.00 O A:HOH202 1.9 95.4 1.0 O C:HOH401 1.9 82.2 1.0 OD1 C:ASP81 2.1 85.1 1.0 O A:HOH201 2.1 85.5 1.0 OE2 C:GLU77 2.2 117.3 1.0 O C:HOH402 2.3 90.0 1.0 CG C:ASP81 3.1 81.7 1.0 CD C:GLU77 3.3 115.2 1.0 OD2 C:ASP81 3.4 68.8 1.0 CG C:GLU77 3.9 108.4 1.0 OD2 C:ASP34 4.2 80.8 1.0 OE1 C:GLU77 4.4 106.8 1.0 CB C:ASP81 4.5 82.0 1.0 OP2 A:DG21 4.5 83.9 1.0 OP2 A:DT20 4.5 81.5 1.0 N7 A:DG21 4.6 97.2 1.0 O C:GLU77 4.6 116.0 1.0 NH2 C:ARG33 4.8 80.0 1.0 CA C:ASP81 4.8 80.2 1.0 N C:ASP81 4.9 78.5 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 2 Sticky Base Overhangs and No 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 2 Sticky Base Overhangs and No Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:104.2 occ:1.00 OE1 C:GLN234 3.4 80.5 1.0 NE2 C:GLN234 3.7 83.1 1.0 CD C:GLN234 4.0 82.6 1.0 CB C:ARG233 4.1 90.0 1.0 O3' A:DC8 4.1 69.7 1.0 NH2 C:ARG233 4.2 106.8 1.0 CD C:ARG233 4.3 89.3 1.0 C4' A:DC8 4.4 73.8 1.0 CG C:ARG233 4.4 84.6 1.0 C2' A:DC8 4.6 81.1 1.0 C3' A:DC8 4.6 77.4 1.0 N C:ARG233 4.9 90.4 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.