Magnesium in PDB 8tiu: 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 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 2 Sticky Base Overhangs and 3' Terminal Phosphates., PDB code: 8tiu 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)	38.53 / 3.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.186, 130.569, 135.266, 90, 90, 90
R / Rfree (%)	19.7 / 23.1

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 3' Terminal Phosphates. (pdb code 8tiu). 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 2 Sticky Base Overhangs and 3' Terminal Phosphates., PDB code: 8tiu:
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 2 Sticky Base Overhangs 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 2 Sticky Base Overhangs and 3' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:80.7 occ:1.00 OP1 A:DC4 3.3 136.0 1.0 P A:DC4 4.5 151.1 1.0 OP2 A:DC4 4.6 148.9 1.0

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 2 Sticky Base Overhangs 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 2 Sticky Base Overhangs and 3' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:109.8 occ:1.00 O B:HOH203 2.0 115.0 1.0 OP1 B:DG27 2.0 111.9 1.0 O B:HOH205 2.3 106.3 1.0 P B:DG27 3.5 122.3 1.0 O5' B:DG27 4.1 106.4 1.0 O3' B:DA26 4.3 108.8 1.0 C5' B:DG27 4.3 101.6 1.0 O B:HOH204 4.3 103.0 1.0 OP2 B:DG27 4.5 121.1 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 2 Sticky Base Overhangs 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 2 Sticky Base Overhangs and 3' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:101.7 occ:1.00 O B:HOH201 2.4 123.4 1.0 O6 B:DG28 4.3 116.6 1.0 N7 B:DG27 4.4 124.6 1.0 N7 B:DG28 4.6 111.5 1.0 C8 B:DG27 4.8 121.6 1.0 O4 B:DT29 4.8 116.6 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 2 Sticky Base Overhangs 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 2 Sticky Base Overhangs and 3' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:85.9 occ:1.00 OD1 C:ASP81 2.1 124.9 1.0 O C:HOH402 2.4 110.4 1.0 OE2 C:GLU77 2.5 163.4 1.0 O A:HOH202 2.8 98.3 1.0 O C:HOH401 3.1 108.8 1.0 CG C:ASP81 3.2 117.8 1.0 OD2 C:ASP81 3.6 106.8 1.0 CD C:GLU77 3.7 164.8 1.0 OD2 C:ASP34 3.9 125.4 1.0 OP2 A:DT20 4.1 101.8 1.0 CG C:GLU77 4.4 165.4 1.0 CB C:ASP81 4.4 119.7 1.0 OE1 C:GLU77 4.6 165.2 1.0 CA C:ASP81 4.7 129.1 1.0 NH2 C:ARG33 4.7 110.1 1.0 CD C:LYS80 4.8 132.5 1.0 C7 A:DT20 4.8 134.3 1.0 OP2 A:DG21 4.8 127.5 1.0 N C:ASP81 4.9 123.2 1.0 O C:GLU77 4.9 155.5 1.0 N7 A:DG21 4.9 116.0 1.0 CG C:ASP34 4.9 120.2 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 2 Sticky Base Overhangs 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 2 Sticky Base Overhangs and 3' Terminal Phosphates. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:73.9 occ:1.00 OP1 A:DT19 3.8 101.1 1.0 CG C:PRO160 4.5 84.1 1.0 CA C:SER32 4.6 110.1 1.0 OH C:TYR161 4.7 83.2 1.0 O C:LEU31 4.8 100.9 1.0 CB C:SER32 4.9 97.9 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.