Magnesium in PDB 4cej: Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution

All present enzymatic activity of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution:
3.6.4.12;

The structure of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution, PDB code: 4cej was solved by W.W.Krajewski, M.Wilkinson, X.Fu, N.B.Cronin, D.B.Wigley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.731 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.437, 152.941, 125.244, 90.00, 94.30, 90.00
R / Rfree (%)	20.27 / 24.34

The structure of Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution (pdb code 4cej). 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 Addab-Dna-Adpnp Complex at 3 Angstrom Resolution, PDB code: 4cej:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution


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 Addab-Dna-Adpnp Complex at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2234 b:85.1 occ:1.00 O1B A:ANP2233 2.1 78.6 1.0 OG1 A:THR37 2.1 82.3 1.0 O A:HOH2002 2.1 63.9 1.0 O A:HOH2001 2.1 81.5 1.0 O A:HOH2003 2.1 79.0 1.0 O2G A:ANP2233 2.1 65.0 1.0 PB A:ANP2233 3.3 87.2 1.0 CB A:THR37 3.4 89.3 1.0 PG A:ANP2233 3.4 79.6 1.0 N3B A:ANP2233 3.7 79.7 1.0 O2A A:ANP2233 3.9 84.2 1.0 N A:THR37 4.1 63.5 1.0 OD2 A:ASP407 4.2 67.9 1.0 CG2 A:THR37 4.2 65.0 1.0 CA A:GLY798 4.3 83.0 1.0 CA A:THR37 4.3 78.0 1.0 O3A A:ANP2233 4.3 87.7 1.0 O2B A:ANP2233 4.3 72.6 1.0 O1G A:ANP2233 4.3 82.7 1.0 O3G A:ANP2233 4.5 74.0 1.0 PA A:ANP2233 4.5 72.8 1.0 O A:GLY798 4.5 93.7 1.0 OE2 A:GLU408 4.5 62.6 1.0 O1A A:ANP2233 4.5 70.0 1.0 OD1 A:ASP407 4.5 63.1 1.0 CG A:ASP407 4.8 63.0 1.0 C A:GLY798 4.9 94.2 1.0 O A:HOH2004 4.9 60.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Addab-Dna-Adpnp Complex at 3 Angstrom Resolution


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 Addab-Dna-Adpnp Complex at 3 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2162 b:78.4 occ:1.00 O1B B:ANP2161 2.0 74.5 1.0 O B:HOH2001 2.1 70.0 1.0 OG1 B:THR15 2.1 75.4 1.0 O2G B:ANP2161 2.1 73.4 1.0 O B:HOH2003 2.1 80.1 1.0 O B:HOH2002 2.1 59.4 1.0 O2A B:ANP2161 3.2 96.8 1.0 CB B:THR15 3.2 88.4 1.0 PB B:ANP2161 3.4 85.0 1.0 PG B:ANP2161 3.4 93.6 1.0 OD2 B:ASP208 3.7 71.5 1.0 N3B B:ANP2161 3.9 82.1 1.0 N B:THR15 4.1 69.4 1.0 O3G B:ANP2161 4.1 60.9 1.0 PA B:ANP2161 4.1 85.7 1.0 OD1 B:ASP208 4.2 74.5 1.0 CG2 B:THR15 4.2 76.0 1.0 CA B:THR15 4.2 76.9 1.0 O3A B:ANP2161 4.3 82.2 1.0 CG B:ASP208 4.4 69.6 1.0 O2B B:ANP2161 4.4 76.2 1.0 O1A B:ANP2161 4.4 77.5 1.0 O1G B:ANP2161 4.5 70.0 1.0 CE B:MET43 5.0 76.5 1.0

W.W.Krajewski, X.Fu, M.Wilkinson, N.B.Cronin, M.S.Dillingham, D.B.Wigley. Structural Basis For Translocation By Addab Helicase-Nuclease and Its Arrest at Chi Sites. Nature V. 508 416 2014.
ISSN: ISSN 0028-0836
PubMed: 24670664
DOI: 10.1038/NATURE13037