Magnesium in PDB 7uv6: Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence.

The structure of Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence., PDB code: 7uv6 was solved by A.R.Orun, C.D.Snow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.93 / 2.72
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.085, 128.495, 137.26, 90, 90, 90
R / Rfree (%)	19.6 / 22.4

The binding sites of Magnesium atom in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence. (pdb code 7uv6). 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 Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence., PDB code: 7uv6:
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 Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence.


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 Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:84.2 occ:1.00 O A:HOH204 2.5 60.7 1.0 OP1 A:DT12 2.7 83.6 1.0 O A:HOH208 2.8 71.9 1.0 O C:HOH417 3.2 79.9 1.0 P A:DT12 4.0 87.0 1.0 C5' A:DT12 4.1 79.8 1.0 O5' A:DT12 4.4 76.1 1.0 O3' A:DA11 4.4 75.0 1.0 OP1 B:DG36 4.6 66.6 1.0 CG C:PRO160 4.9 44.8 1.0

Magnesium binding site 2 out of 5 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence.


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 Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:104.7 occ:1.00 OP1 B:DG42 2.8 103.5 1.0 P B:DG42 4.2 108.1 1.0 O3' B:DA41 4.9 85.8 1.0

Magnesium binding site 3 out of 5 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence.


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 Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:84.5 occ:1.00 N7 B:DG42 4.8 100.7 1.0 C8 B:DG42 5.0 101.0 1.0

Magnesium binding site 4 out of 5 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence.


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 Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg103 b:77.6 occ:1.00 O C:HOH404 2.5 64.7 1.0 OE2 C:GLU215 3.8 72.8 1.0 CG C:GLU215 3.9 58.0 1.0 CD C:GLU215 4.3 72.8 1.0 ND2 C:ASN214 4.4 61.6 0.6 OP1 B:DT35 4.4 71.5 1.0 OP2 B:DT35 4.5 74.1 1.0 O3' B:DT34 4.6 58.2 1.0 P B:DT35 4.8 68.9 1.0 C3' B:DT34 4.9 67.6 1.0 O C:VAL211 4.9 64.8 1.0

Magnesium binding site 5 out of 5 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence.


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 Scaffold Duplex (21MER) Containing the Cognate REPE54 Sequence and An Insert Duplex (10MER) with Guest Tamra- Labelled Thymine and G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:68.7 occ:1.00 O C:HOH406 2.1 77.9 1.0 OE2 C:GLU77 2.1 90.8 1.0 O C:HOH402 2.2 61.3 1.0 OD1 C:ASP81 2.5 72.1 1.0 O C:HOH412 2.5 70.6 1.0 O C:HOH409 2.7 84.2 1.0 O C:HOH401 2.9 68.4 1.0 CD C:GLU77 3.4 84.9 1.0 CG C:ASP81 3.6 73.8 1.0 OP2 A:DT13 4.0 71.6 1.0 OD2 C:ASP81 4.1 75.7 1.0 OE1 C:GLU77 4.2 81.0 1.0 CG C:GLU77 4.3 84.1 1.0 N7 A:DG14 4.3 88.6 1.0 OD2 C:ASP34 4.6 67.4 1.0 C7 A:DT13 4.6 75.9 1.0 OP2 A:DG14 4.6 84.3 1.0 CD C:LYS80 4.7 77.0 1.0 CB C:ASP81 4.9 73.1 1.0 C8 A:DG14 5.0 88.3 1.0

A.R.Orun, E.T.Shields, S.Dmytriw, A.Vajapayajula, C.D.Snow. Designed Crystalline Assemblies of Protein and Dna Enable Site-Specific Installation of A Guest Protein, Dna, and Small Molecule. To Be Published.