Magnesium in PDB 4cei: Crystal Structure of Adpnp-Bound Addab with A Forked Dna Substrate

All present enzymatic activity of Crystal Structure of Adpnp-Bound Addab with A Forked Dna Substrate:
3.6.4.12;

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

Resolution Low / High (Å)	29.949 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.944, 151.335, 124.560, 90.00, 95.95, 90.00
R / Rfree (%)	19.53 / 23.98

The structure of Crystal Structure of Adpnp-Bound Addab with A Forked Dna Substrate also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Magnesium atom in the Crystal Structure of Adpnp-Bound Addab with A Forked Dna Substrate (pdb code 4cei). 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 Adpnp-Bound Addab with A Forked Dna Substrate, PDB code: 4cei:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Adpnp-Bound Addab with A Forked Dna Substrate


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 Adpnp-Bound Addab with A Forked Dna Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2234 b:51.4 occ:1.00 O A:HOH2002 2.0 41.9 1.0 O A:HOH2001 2.0 32.0 1.0 O A:HOH2003 2.0 54.8 1.0 O1B A:ANP2233 2.1 50.1 1.0 O2G A:ANP2233 2.1 37.5 1.0 OG1 A:THR37 2.1 45.2 1.0 CB A:THR37 3.3 51.6 1.0 PB A:ANP2233 3.4 47.3 1.0 PG A:ANP2233 3.4 38.8 1.0 N3B A:ANP2233 3.7 50.8 1.0 OD2 A:ASP407 4.0 36.5 1.0 OE2 A:GLU408 4.0 49.4 1.0 OD1 A:ASP407 4.1 42.2 1.0 N A:THR37 4.1 49.0 1.0 O2A A:ANP2233 4.2 52.6 1.0 O1G A:ANP2233 4.2 41.5 1.0 O2B A:ANP2233 4.2 37.4 1.0 CA A:GLY798 4.2 48.4 1.0 CA A:THR37 4.3 48.2 1.0 CG2 A:THR37 4.3 38.8 1.0 O A:GLY798 4.4 56.4 1.0 O3A A:ANP2233 4.5 57.2 1.0 CG A:ASP407 4.5 43.6 1.0 O3G A:ANP2233 4.6 50.0 1.0 O1A A:ANP2233 4.6 46.3 1.0 O A:HOH2004 4.6 40.6 1.0 PA A:ANP2233 4.6 48.6 1.0 CD A:GLU408 4.8 43.8 1.0 C A:GLY798 4.8 55.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Adpnp-Bound Addab with A Forked Dna Substrate


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 Adpnp-Bound Addab with A Forked Dna Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2162 b:65.9 occ:1.00 O B:HOH2002 2.0 44.2 1.0 O B:HOH2001 2.0 48.5 1.0 O B:HOH2003 2.1 52.2 1.0 O2G B:ANP2161 2.1 55.5 1.0 O1B B:ANP2161 2.1 57.8 1.0 OG1 B:THR15 2.1 45.3 1.0 CB B:THR15 3.4 52.1 1.0 PG B:ANP2161 3.5 78.3 1.0 PB B:ANP2161 3.5 61.4 1.0 O B:HOH2004 3.7 53.5 1.0 OD2 B:ASP208 3.7 55.3 1.0 O2A B:ANP2161 3.7 66.0 1.0 N3B B:ANP2161 3.9 68.3 1.0 OD1 B:ASP208 4.1 50.9 1.0 O3G B:ANP2161 4.2 52.6 1.0 N B:THR15 4.2 44.2 1.0 CA B:THR15 4.3 48.3 1.0 O2B B:ANP2161 4.3 49.0 1.0 CG B:ASP208 4.3 52.8 1.0 CG2 B:THR15 4.3 45.0 1.0 O3A B:ANP2161 4.5 67.3 1.0 O1G B:ANP2161 4.6 51.4 1.0 PA B:ANP2161 4.6 71.1 1.0 O1A B:ANP2161 4.9 58.9 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