Magnesium in PDB 2qby: Crystal Structure of A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus)

The structure of Crystal Structure of A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus), PDB code: 2qby was solved by E.L.Cunningham Dueber, J.E.Corn, S.D.Bell, J.M.Berger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.35
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	77.649, 199.143, 213.405, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 26.9

The structure of Crystal Structure of A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus) also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus) (pdb code 2qby). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus), PDB code: 2qby:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus)


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 A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg6 b:79.4 occ:1.00 OG1 A:THR70 2.3 0.2 1.0 O A:HOH4 2.7 0.3 1.0 O1B A:ADP8 2.9 0.7 1.0 O A:HOH3 2.9 95.0 1.0 O3B A:ADP8 3.0 0.7 1.0 CB A:THR70 3.5 0.4 1.0 PB A:ADP8 3.5 0.7 1.0 OD2 A:ASP146 3.7 0.1 1.0 O2A A:ADP8 3.7 0.7 1.0 NH2 A:ARG250 3.7 0.2 1.0 OE2 A:GLU147 4.2 0.1 1.0 CG2 A:THR70 4.2 0.6 1.0 CD A:GLU147 4.4 0.7 1.0 CG A:ASP146 4.5 0.4 1.0 O3A A:ADP8 4.5 0.7 1.0 OD1 A:ASP146 4.6 0.9 1.0 CA A:THR70 4.6 0.0 1.0 N A:THR70 4.7 0.3 1.0 PA A:ADP8 4.7 0.7 1.0 O2B A:ADP8 4.8 0.7 1.0 OE1 A:GLU147 4.8 0.9 1.0 CZ A:ARG250 5.0 0.1 1.0 CG A:GLU147 5.0 0.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus)


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 A Heterodimer of CDC6/ORC1 Initiators Bound to Origin Dna (From S. Solfataricus) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg7 b:73.4 occ:1.00 O1B B:ADP9 2.5 0.8 1.0 OG1 B:THR69 2.5 0.3 1.0 O B:HOH1 3.0 0.2 1.0 O B:HOH2 3.1 0.8 1.0 OD2 B:ASP150 3.5 0.5 1.0 ND2 B:ASN182 3.5 0.3 1.0 PB B:ADP9 3.6 0.8 1.0 CB B:THR69 3.7 0.3 1.0 O3B B:ADP9 3.7 0.8 1.0 OD1 B:ASN182 3.9 0.6 1.0 OD1 B:ASP150 4.1 0.8 1.0 CG B:ASN182 4.2 0.6 1.0 CG B:ASP150 4.2 0.6 1.0 CD B:GLU151 4.4 0.2 1.0 O2A B:ADP9 4.4 0.8 1.0 OE1 B:GLU151 4.4 0.7 1.0 O2B B:ADP9 4.6 0.8 1.0 CG2 B:THR69 4.6 0.4 1.0 OE2 B:GLU151 4.6 0.9 1.0 CG B:GLU151 4.7 0.1 1.0 O3A B:ADP9 4.7 0.8 1.0 CA B:THR69 4.8 0.5 1.0 N B:THR69 4.8 0.3 1.0

E.L.Dueber, J.E.Corn, S.D.Bell, J.M.Berger. Replication Origin Recognition and Deformation By A Heterodimeric Archaeal ORC1 Complex. Science V. 317 1210 2007.
ISSN: ISSN 0036-8075
PubMed: 17761879
DOI: 10.1126/SCIENCE.1143690