Magnesium in PDB 1ouq: Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse

The structure of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse, PDB code: 1ouq was solved by E.Ennifar, J.E.W.Meyer, F.Buchholz, A.F.Stewart, D.Suck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 3.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	109.500, 165.600, 193.700, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26.4

The structure of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse also contains other interesting chemical elements:

Iodine

(I)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse (pdb code 1ouq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 7 binding sites of Magnesium where determined in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse, PDB code: 1ouq:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Magnesium binding site 1 out of 7 in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg310 b:46.8 occ:1.06 N7 D:DA105 3.0 16.5 1.0 N7 D:DA104 3.7 27.9 1.0 N6 D:DA105 3.9 15.9 1.0 C8 D:DA105 4.0 18.2 1.0 C5 D:DA105 4.0 16.9 1.0 C8 D:DA104 4.1 28.6 1.0 C6 D:DA105 4.4 15.2 1.0 N4 D:DC106 4.5 22.0 1.0 C5 D:DA104 4.7 27.1 1.0 OP2 D:DA104 4.9 51.1 1.0

Magnesium binding site 2 out of 7 in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg307 b:70.7 occ:0.85 OP2 H:DC120 4.0 80.5 1.0 CD2 F:LEU92 4.3 30.6 1.0 C6 H:DC120 4.6 76.6 1.0 C5 H:DC120 4.6 76.5 1.0 C2' H:DA119 4.8 80.6 1.0 CG F:LEU92 4.9 29.0 1.0 CA F:GLY93 5.0 35.8 1.0

Magnesium binding site 3 out of 7 in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg344 b:43.7 occ:1.00 O4 D:DT111 3.1 29.6 1.0 CG A:LYS43 3.4 38.1 1.0 CB A:LYS43 3.5 33.0 1.0 C7 D:DT111 3.6 26.3 1.0 CD A:LYS43 4.0 44.4 1.0 C4 D:DT111 4.1 27.3 1.0 O4 X:DT125 4.2 28.5 1.0 C5 D:DT111 4.4 27.8 1.0 N6 X:DA126 4.6 22.4 1.0 N7 D:DG110 4.6 29.9 1.0 SD A:MET44 4.6 28.4 1.0 ND1 A:HIS40 4.6 35.6 1.0 CE A:LYS43 4.7 48.0 1.0 N6 D:DA112 4.8 22.9 1.0 CA A:LYS43 4.9 30.6 1.0

Magnesium binding site 4 out of 7 in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg345 b:48.9 occ:1.00 NE2 A:HIS269 3.6 23.0 1.0 CD2 A:TYR273 4.0 30.6 1.0 CE2 A:TYR273 4.1 32.0 1.0 CG A:TYR273 4.3 29.2 1.0 CE1 A:HIS269 4.4 24.9 1.0 CZ A:TYR273 4.5 32.0 1.0 CD2 A:HIS269 4.5 24.9 1.0 CD1 A:TYR273 4.7 28.5 1.0 CD2 A:LEU135 4.8 21.7 1.0 CE1 A:TYR273 4.8 30.4 1.0 CD1 A:LEU135 4.9 21.4 1.0

Magnesium binding site 5 out of 7 in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg346 b:36.7 occ:1.00 OE2 A:GLU138 3.6 44.6 1.0 OD2 A:ASP141 4.3 34.9 1.0 CD A:GLU138 4.7 40.8 1.0 OD1 A:ASP141 4.8 36.5 1.0 CG A:ASP141 4.9 34.6 1.0 OG1 A:THR140 4.9 22.9 1.0

Magnesium binding site 6 out of 7 in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg347 b:42.7 occ:0.98 OP2 D:DC106 3.6 19.4 1.0 NH2 A:ARG159 3.7 19.8 1.0 ND2 A:ASN160 3.9 31.3 1.0 NE2 A:GLN156 4.0 57.0 1.0 CD A:GLN156 4.2 55.3 1.0 OE1 A:GLN156 4.4 56.8 1.0 OD1 A:ASN160 4.5 32.0 1.0 CG A:ASN160 4.6 30.2 1.0 CG1 A:ILE264 4.7 20.9 1.0 CA A:ILE264 4.7 20.8 1.0 CG A:GLN156 4.8 52.0 1.0 CB A:ALA267 4.9 27.5 1.0 O A:GLY263 4.9 25.2 1.0 N A:ILE264 4.9 22.7 1.0 P D:DC106 5.0 21.6 1.0

Magnesium binding site 7 out of 7 in the Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Wild-Type Cre Recombinase-Loxp Synapse within 5.0Å range: probe atom residue distance (Å) B Occ F:Mg344 b:25.8 occ:0.60 NE2 F:HIS91 2.3 35.2 1.0 CE1 F:HIS91 3.2 36.0 1.0 OP2 G:DA112 3.3 49.8 1.0 CD2 F:HIS91 3.3 35.5 1.0 CG2 F:THR87 3.5 27.6 1.0 C7 G:DT113 4.0 31.0 1.0 C8 G:DA112 4.1 45.0 1.0 O5' G:DA112 4.3 48.9 1.0 ND1 F:HIS91 4.3 34.5 1.0 C2' G:DT111 4.3 55.9 1.0 P G:DA112 4.4 51.1 1.0 CG F:HIS91 4.4 34.8 1.0 N7 G:DA112 4.6 43.7 1.0 C2' G:DA112 4.8 42.7 1.0 C3' G:DT111 4.9 55.9 1.0 CB F:THR87 5.0 30.4 1.0

E.Ennifar, J.E.W.Meyer, F.Buchholz, A.F.Stewart, D.Suck. Crystal Structure of A Wild-Type Cre Recombinase-Loxp Synapse Reveals A Novel Spacer Conformation Suggesting An Alternative Mechanism For Dna Cleavage Activation Nucleic Acids Res. V. 31 5449 2003.
ISSN: ISSN 0305-1048
PubMed: 12954782
DOI: 10.1093/NAR/GKG732