Magnesium in PDB 7ufx: Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively.

The structure of Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively., PDB code: 7ufx was solved by A.R.Ward, E.T.Shields, C.D.Snow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.00 / 2.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.809, 129.493, 137.118, 90, 90, 90
R / Rfree (%)	19.5 / 22.6

The binding sites of Magnesium atom in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively. (pdb code 7ufx). 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 Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively., PDB code: 7ufx:
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 Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively.


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-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:73.2 occ:1.00 OP1 B:DG42 2.4 96.0 1.0 P B:DG42 3.9 98.6 1.0 C5' B:DG42 4.4 89.5 1.0 O5' B:DG42 4.4 101.9 1.0 O3' B:DA41 4.7 74.3 1.0 OP2 B:DG42 4.8 135.0 1.0

Magnesium binding site 2 out of 6 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively.


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-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:78.5 occ:1.00 N7 B:DG42 4.8 79.0 1.0

Magnesium binding site 3 out of 6 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively.


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-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively. within 5.0Å range:

Magnesium binding site 4 out of 6 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively.


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-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:97.9 occ:1.00 OE1 C:GLN234 3.4 119.4 1.0 NE2 C:GLN234 3.5 113.8 1.0 CD C:GLN234 3.9 72.1 1.0 NH2 C:ARG233 4.0 122.9 1.0 NE C:ARG233 4.1 118.4 1.0 O3' A:DC1 4.1 61.3 1.0 C4' A:DC1 4.2 68.3 1.0 CZ C:ARG233 4.5 125.3 1.0 C3' A:DC1 4.6 77.6 1.0 CB C:ARG233 4.6 104.7 1.0 C2' A:DC1 4.6 60.9 1.0 O4' A:DC1 4.9 63.8 1.0

Magnesium binding site 5 out of 6 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively.


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-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:111.0 occ:1.00 O A:HOH102 2.0 108.0 1.0 OE2 C:GLU77 2.0 145.9 1.0 OD1 C:ASP81 2.0 82.6 1.0 O C:HOH403 2.4 90.3 1.0 O C:HOH401 2.5 77.7 1.0 OD2 C:ASP81 2.5 63.1 1.0 CG C:ASP81 2.6 62.4 1.0 CD C:GLU77 2.8 77.6 1.0 O C:HOH402 2.9 78.0 1.0 CG C:GLU77 3.0 140.9 1.0 O C:GLU77 3.9 88.5 1.0 OE1 C:GLU77 4.0 98.8 1.0 CB C:ASP81 4.1 61.7 1.0 OP2 A:DG14 4.2 82.2 1.0 CB C:GLU77 4.4 84.4 1.0 OD2 C:ASP34 4.6 58.5 1.0 NH2 C:ARG33 4.6 61.2 1.0 C C:GLU77 4.7 73.0 1.0 CA C:ASP81 4.7 61.8 1.0 N C:ASP81 4.8 67.8 1.0 N7 A:DG14 4.8 96.5 1.0 NZ C:LYS80 4.9 96.5 1.0 CA C:GLU77 4.9 92.7 1.0

Magnesium binding site 6 out of 6 in the Isoreticular, Interpenetrating Co-Crystal of Replication Initiator Protein REPE54 and Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively.


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 Scaffold-Insert Duplexes (21MER and 10MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence, Respectively. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg303 b:89.7 occ:1.00 OE1 C:GLU215 3.6 66.2 1.0 OP1 B:DT35 4.1 69.3 1.0 OP2 B:DT35 4.2 66.2 1.0 O C:VAL211 4.5 79.7 1.0 P B:DT35 4.5 63.0 1.0 CD C:GLU215 4.5 88.6 1.0 ND2 C:ASN214 4.6 146.5 1.0 CB C:VAL211 4.6 62.1 1.0 O3' B:DT34 4.7 48.0 1.0 C3' B:DT34 4.9 77.2 1.0 CB C:GLU215 5.0 52.2 1.0

A.R.Ward, 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.