Magnesium in PDB 7uxy: Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence.

The structure of Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence., PDB code: 7uxy 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)	34.21 / 3.15
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.11, 129.426, 136.826, 90, 90, 90
R / Rfree (%)	24.6 / 26.4

The binding sites of Magnesium atom in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. (pdb code 7uxy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 8 binding sites of Magnesium where determined in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence., PDB code: 7uxy:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Magnesium binding site 1 out of 8 in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional 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 Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:58.6 occ:1.00 O A:HOH211 2.2 52.9 1.0 O3' A:DA1 3.2 133.7 1.0 OP2 A:DC2 4.0 110.8 1.0 P A:DC2 4.1 130.0 1.0 OP1 A:DC2 4.6 104.6 1.0

Magnesium binding site 2 out of 8 in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional 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 Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:75.2 occ:1.00 OP1 A:DC4 3.0 88.0 1.0 O A:HOH202 3.2 65.2 1.0 P A:DC4 4.3 95.7 1.0 OP2 A:DC4 4.8 89.2 1.0 O5' A:DC4 5.0 82.8 1.0

Magnesium binding site 3 out of 8 in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional 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 Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:53.5 occ:1.00 O B:HOH204 2.2 56.6 1.0 N7 B:DG27 4.4 58.1 1.0 O6 B:DG28 4.5 54.3 1.0 C8 B:DG27 4.8 67.5 1.0 N7 B:DG28 4.8 54.8 1.0 O B:HOH213 4.9 46.3 1.0 O A:HOH204 4.9 77.5 1.0

Magnesium binding site 4 out of 8 in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional 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 Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:54.4 occ:1.00 O B:HOH205 2.0 69.5 1.0 OP1 B:DG27 2.0 55.9 1.0 O B:HOH202 2.2 67.7 1.0 P B:DG27 3.5 59.3 1.0 O5' B:DG27 4.2 58.5 1.0 OP2 B:DG27 4.3 59.9 1.0 O3' B:DA26 4.4 51.6 1.0 O B:HOH201 4.5 55.6 1.0 C5' B:DG27 4.5 60.5 1.0

Magnesium binding site 5 out of 8 in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional 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 Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg103 b:74.3 occ:1.00 O B:HOH214 3.1 47.4 1.0 N4 B:DC15 3.2 103.2 1.0 O C:HOH405 3.2 61.1 1.0 N7 B:DG14 3.5 105.5 1.0 C5 B:DG14 4.0 105.6 1.0 C5 B:DC15 4.1 104.1 1.0 C4 B:DC15 4.1 103.6 1.0 C8 B:DG14 4.2 106.0 1.0 O6 B:DG14 4.2 104.8 1.0 C6 B:DG14 4.3 105.2 1.0 C4 B:DG14 5.0 106.2 1.0

Magnesium binding site 6 out of 8 in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence.


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 Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg104 b:67.9 occ:1.00 N2 B:DG27 3.2 62.6 1.0 O A:HOH206 3.6 67.5 1.0 C1' B:DG28 3.8 53.7 1.0 O2 A:DT10 3.9 57.3 1.0 C1' A:DT10 3.9 53.6 1.0 O4' B:DG28 4.0 55.2 1.0 C2 B:DG27 4.2 61.0 1.0 N3 B:DG27 4.2 62.8 1.0 N9 B:DG28 4.3 65.6 1.0 O4' A:DT10 4.4 51.9 1.0 C2 A:DT10 4.5 57.8 1.0 O2 A:DC9 4.5 58.4 1.0 N1 A:DT10 4.6 56.7 1.0 N3 B:DG28 4.7 56.1 1.0 C4 B:DG28 4.7 60.3 1.0 C2' A:DT10 4.8 54.1 1.0 C2' B:DG28 5.0 54.6 1.0

Magnesium binding site 7 out of 8 in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:77.1 occ:1.00 O C:HOH404 2.4 53.3 1.0 OE1 C:GLN234 2.9 84.8 1.0 NE2 C:GLN234 3.0 71.1 1.0 CD C:GLN234 3.3 74.6 1.0 O C:HOH406 3.5 62.4 1.0 O3' A:DC8 4.5 53.2 1.0 CB C:ARG233 4.6 65.9 1.0 CG C:GLN234 4.8 57.3 1.0 C4' A:DC8 4.9 59.8 1.0

Magnesium binding site 8 out of 8 in the Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Isoreticular, Interpenetrating Co-Crystal of Protein Variant Replication Initiator Protein REPE54 (L53G,Q54G,E55G) and Symmetrical Expanded Duplex (31MER) Containing the Cognate REPE54 Sequence and An Additional G-C Rich Sequence. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg302 b:69.2 occ:1.00 O C:HOH403 2.2 52.1 1.0 OD1 C:ASP81 2.3 85.2 1.0 OE2 C:GLU77 2.5 117.4 1.0 O A:HOH203 2.5 82.0 1.0 CG C:ASP81 3.4 99.6 1.0 CD C:GLU77 3.7 118.9 1.0 OD2 C:ASP81 3.9 86.9 1.0 OD2 C:ASP34 4.1 88.7 1.0 OP2 A:DT20 4.1 88.0 1.0 CD C:LYS80 4.5 90.6 1.0 CG C:GLU77 4.5 103.2 1.0 OE1 C:GLU77 4.6 108.6 1.0 CB C:ASP81 4.6 85.2 1.0 C7 A:DT20 4.7 88.6 1.0 N7 A:DG21 4.7 91.9 1.0 CA C:ASP81 4.8 87.5 1.0 N C:ASP81 4.9 87.9 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.