Magnesium in PDB 8ipp: Crystal Structure of the Complex Between An Ankyrin and A Parallel G- Quadruplex

The structure of Crystal Structure of the Complex Between An Ankyrin and A Parallel G- Quadruplex, PDB code: 8ipp was solved by K.H.Ngo, C.W.Liew, B.Heddi, A.T.Phan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.38 / 2.01
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.759, 83.587, 31.858, 90, 90, 90
R / Rfree (%)	21.1 / 22.4

The structure of Crystal Structure of the Complex Between An Ankyrin and A Parallel G- Quadruplex also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Complex Between An Ankyrin and A Parallel G- Quadruplex (pdb code 8ipp). 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 the Complex Between An Ankyrin and A Parallel G- Quadruplex, PDB code: 8ipp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Complex Between An Ankyrin and A Parallel G- Quadruplex


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 the Complex Between An Ankyrin and A Parallel G- Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg201 b:39.4 occ:1.00 O B:HOH334 3.0 41.3 1.0 N B:ILE95 3.1 39.1 1.0 CB B:HIS92 3.3 37.4 1.0 N B:ASP94 3.3 47.9 1.0 CB B:ASP94 3.4 55.8 1.0 CA B:HIS92 3.5 32.5 1.0 C B:HIS92 3.5 39.5 1.0 CD1 B:ILE95 3.6 39.6 1.0 CG1 B:ILE95 3.6 34.0 1.0 CA B:ASP94 3.7 50.0 1.0 O B:HIS92 3.8 37.6 1.0 CB B:ILE95 3.8 36.9 1.0 N B:LEU93 3.8 35.1 1.0 C B:ASP94 3.9 47.5 1.0 CA B:ILE95 4.0 40.9 1.0 CG B:HIS92 4.2 36.8 1.0 C B:LEU93 4.3 43.4 1.0 CG B:ASP94 4.4 61.9 1.0 OD2 B:ASP94 4.4 67.9 1.0 ND1 B:HIS92 4.4 36.5 1.0 CA B:LEU93 4.6 43.0 1.0 N B:HIS92 4.9 36.6 1.0 CB B:LEU60 5.0 37.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Complex Between An Ankyrin and A Parallel G- Quadruplex


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 the Complex Between An Ankyrin and A Parallel G- Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:39.4 occ:1.00 N B:LEU128 3.2 41.8 1.0 N B:ASP127 3.3 42.1 1.0 CB B:ASN125 3.5 45.9 1.0 C B:ASN125 3.6 41.9 1.0 CA B:ASN125 3.6 40.5 1.0 CB B:ASP127 3.7 48.4 1.0 CA B:ASP127 3.8 44.3 1.0 N B:GLU126 3.8 42.5 1.0 CD2 B:LEU128 3.8 44.1 1.0 O B:ASN125 3.9 40.1 1.0 CG B:LEU128 3.9 48.1 1.0 C B:ASP127 4.0 44.0 1.0 CB B:LEU128 4.2 50.7 1.0 OD2 B:ASP127 4.2 56.6 1.0 CA B:LEU128 4.3 44.4 1.0 C B:GLU126 4.4 45.3 1.0 CD1 B:LEU93 4.4 43.9 1.0 CG B:ASP127 4.4 49.2 1.0 CG B:ASN125 4.5 51.1 1.0 CA B:GLU126 4.7 42.3 1.0 OD1 B:ASN125 4.8 43.7 1.0 O B:GLY91 4.8 42.8 1.0 CB B:LEU93 4.9 42.2 1.0 CA B:GLY91 5.0 43.5 1.0

K.H.Ngo, C.W.Liew, B.Heddi, A.T.Phan. Structural Basis For Parallel G-Quadruplex Recognition By An Ankyrin Protein. J.Am.Chem.Soc. V. 146 13709 2024.
ISSN: ESSN 1520-5126
PubMed: 38738955
DOI: 10.1021/JACS.4C01971