Magnesium in PDB 4cs1: Crystal Structure of A Simple Duplex Kink Turn, Hmkt-7 with 2 Mg Bound.

The structure of Crystal Structure of A Simple Duplex Kink Turn, Hmkt-7 with 2 Mg Bound., PDB code: 4cs1 was solved by L.Huang, D.M.J.Lilley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.415 / 2.00
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	70.081, 70.081, 47.518, 90.00, 90.00, 120.00
R / Rfree (%)	18.44 / 23.44

The binding sites of Magnesium atom in the Crystal Structure of A Simple Duplex Kink Turn, Hmkt-7 with 2 Mg Bound. (pdb code 4cs1). 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 Simple Duplex Kink Turn, Hmkt-7 with 2 Mg Bound., PDB code: 4cs1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of A Simple Duplex Kink Turn, Hmkt-7 with 2 Mg Bound.


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 Simple Duplex Kink Turn, Hmkt-7 with 2 Mg Bound. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:30.4 occ:0.73 O A:HOH2019 2.3 40.1 1.0 O6 A:G15 2.3 42.4 1.0 O A:HOH2013 2.3 33.7 1.0 O A:HOH2017 2.4 37.9 1.0 O A:HOH2021 2.4 42.1 1.0 O6 A:G14 2.4 36.6 1.0 O A:HOH2022 3.1 30.1 1.0 C6 A:G15 3.2 36.6 1.0 C6 A:G14 3.4 38.1 1.0 N1 A:G15 3.5 33.3 1.0 MG A:MG102 3.6 37.0 0.7 N7 A:G14 3.7 39.2 1.0 C5 A:G14 3.9 37.9 1.0 O A:HOH2018 4.1 39.0 1.0 O A:HOH2009 4.2 42.2 1.0 O A:HOH2010 4.2 43.8 1.0 O A:HOH2012 4.3 42.6 1.0 C5 A:G15 4.5 37.2 1.0 N1 A:G14 4.6 30.8 1.0 OP2 A:G13 4.7 38.7 1.0 O A:HOH2020 4.8 50.4 1.0 C2 A:G15 4.8 34.6 1.0 O A:HOH2016 4.9 40.7 1.0 C8 A:G14 5.0 44.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of A Simple Duplex Kink Turn, Hmkt-7 with 2 Mg Bound.


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 Simple Duplex Kink Turn, Hmkt-7 with 2 Mg Bound. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:37.0 occ:0.68 O A:HOH2010 2.2 43.8 1.0 O A:HOH2023 2.4 46.5 1.0 O6 A:G14 2.4 36.6 1.0 O A:HOH2018 2.4 39.0 1.0 O A:HOH2017 2.4 37.9 1.0 O A:HOH2011 3.1 36.5 1.0 C6 A:G14 3.3 38.1 1.0 MG A:MG101 3.6 30.4 0.7 O A:HOH2008 3.6 44.5 1.0 N1 A:G14 3.9 30.8 1.0 O A:HOH2009 4.0 42.2 1.0 O A:HOH2019 4.4 40.1 1.0 C5 A:G14 4.4 37.9 1.0 N7 A:G13 4.6 35.5 1.0 O6 A:G13 4.6 29.0 1.0 O A:HOH2013 4.7 33.7 1.0 N7 A:G14 4.9 39.2 1.0

S.A.Mcphee, L.Huang, D.M.J.Lilley. A Critical Base Pair in K-Turns That Confers Folding Characteristics and Correlates with Biological Function. Nat.Commun. V. 5 5127 2014.
ISSN: ISSN 2041-1723
PubMed: 25351101
DOI: 10.1038/NCOMMS6127