Magnesium in PDB 7u6k: 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.

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., PDB code: 7u6k was solved by A.R.Ward, C.D.Snow, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.62 / 2.38
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.261, 132.066, 134.986, 90, 90, 90
R / Rfree (%)	18.3 / 22.4

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. (pdb code 7u6k). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 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., PDB code: 7u6k:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 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.


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. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:104.3 occ:1.00 O A:HOH220 2.1 84.7 1.0 O3' A:DA1 3.8 112.4 1.0

Magnesium binding site 2 out of 7 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.


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. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:115.6 occ:1.00 O A:HOH232 2.2 59.8 1.0 OP1 A:DT19 2.2 77.8 1.0 O A:HOH229 2.4 72.5 1.0 O A:HOH234 2.5 59.0 1.0 O C:HOH430 3.4 59.1 1.0 P A:DT19 3.4 84.3 1.0 C5' A:DT19 3.5 54.1 1.0 O5' A:DT19 3.8 75.2 1.0 O3' A:DA18 4.1 76.6 1.0 O C:HOH424 4.2 52.1 1.0 OP2 A:DT19 4.7 71.8 1.0 CB C:SER32 4.9 53.3 1.0 C4' A:DT19 4.9 84.5 1.0

Magnesium binding site 3 out of 7 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.


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. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg103 b:93.7 occ:1.00 O A:HOH226 2.3 79.7 1.0 OP1 A:DC4 2.4 90.8 1.0 O A:HOH228 2.7 68.0 1.0 P A:DC4 3.6 104.7 1.0 OP2 A:DC4 3.9 95.1 1.0 O5' A:DC4 4.5 82.4 1.0 O A:HOH206 4.5 54.7 1.0 O3' A:DC3 4.7 69.9 1.0

Magnesium binding site 4 out of 7 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.


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. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:57.2 occ:1.00 O B:HOH218 1.9 58.2 1.0 OP1 B:DG27 2.2 54.0 1.0 O B:HOH214 2.2 72.9 1.0 P B:DG27 3.6 59.8 1.0 O5' B:DG27 4.4 58.1 1.0 O3' B:DA26 4.4 48.7 1.0 OP2 B:DG27 4.5 59.5 1.0 O B:HOH202 4.6 48.1 1.0 C5' B:DG27 4.6 62.8 1.0

Magnesium binding site 5 out of 7 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.


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. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:67.5 occ:1.00 O B:HOH203 2.6 42.0 1.0 O B:HOH220 3.5 58.1 1.0 N7 B:DG27 4.0 57.1 1.0 C8 B:DG27 4.3 73.7 1.0 O B:HOH219 4.5 68.8 1.0 O A:HOH222 4.9 58.5 1.0 O6 B:DG28 4.9 50.4 1.0 C5 B:DG27 5.0 79.6 1.0

Magnesium binding site 6 out of 7 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.


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. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg301 b:70.4 occ:1.00 OE2 C:GLU77 2.2 97.5 1.0 O A:HOH208 2.3 48.7 1.0 O C:HOH411 2.3 48.6 1.0 OD1 C:ASP81 2.4 64.3 1.0 O C:HOH420 2.5 74.9 1.0 O C:HOH412 2.9 61.9 1.0 O A:HOH217 3.2 54.0 1.0 CD C:GLU77 3.4 98.9 1.0 CG C:ASP81 3.5 89.8 1.0 OD2 C:ASP81 4.1 67.4 1.0 OP2 A:DT20 4.2 61.6 1.0 OE1 C:GLU77 4.3 79.3 1.0 CG C:GLU77 4.3 70.8 1.0 OD2 C:ASP34 4.3 72.4 1.0 CD C:LYS80 4.4 69.9 1.0 C7 A:DT20 4.5 67.0 1.0 N7 A:DG21 4.6 84.4 1.0 CB C:ASP81 4.8 63.7 1.0 CA C:ASP81 4.9 67.2 1.0

Magnesium binding site 7 out of 7 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.


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 Replication Initiator Protein REPE54 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:95.5 occ:1.00 NE2 C:GLN234 3.3 78.1 1.0 OE1 C:GLN234 3.6 101.2 1.0 CB C:ARG233 3.9 74.5 1.0 CD C:GLN234 3.9 84.3 1.0 CD C:ARG233 4.0 84.5 1.0 CG C:ARG233 4.2 76.1 1.0 O3' A:DC8 4.3 57.1 1.0 O C:HOH434 4.4 84.7 1.0 C4' A:DC8 4.6 66.3 1.0 C2' A:DC8 4.6 75.3 1.0 N C:ARG233 4.7 78.1 1.0 C3' A:DC8 4.8 49.5 1.0 NE C:ARG233 4.8 86.8 1.0 CA C:ARG233 4.9 73.2 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.