Magnesium in PDB 6hsn: Crystal Structure of the Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide

All present enzymatic activity of Crystal Structure of the Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide:
2.10.1.1; 2.7.7.75;

The structure of Crystal Structure of the Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide, PDB code: 6hsn was solved by V.B.Kasaragod, H.Schindelin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.55
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	86.962, 99.217, 111.608, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 19.6

The structure of Crystal Structure of the Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of the Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide (pdb code 6hsn). 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 Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide, PDB code: 6hsn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide


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 Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg802 b:21.8 occ:1.00 O2A A:ADP801 2.0 18.7 1.0 O A:HOH1076 2.1 21.4 1.0 O A:HOH1022 2.1 18.6 1.0 O A:HOH971 2.1 23.2 1.0 O A:HOH932 2.1 22.4 1.0 O A:HOH1194 2.2 22.3 1.0 PA A:ADP801 3.2 21.5 1.0 H A:GLY573 3.4 20.8 1.0 O1A A:ADP801 3.7 22.3 1.0 O5' A:ADP801 3.8 20.8 1.0 HA2 A:GLY507 3.8 20.3 1.0 HA3 A:GLY507 3.9 20.3 1.0 OE2 A:GLU509 3.9 26.7 1.0 H2' A:ADP801 4.0 21.3 1.0 H8 A:ADP801 4.0 17.9 1.0 OD1 A:ASP549 4.0 28.4 1.0 N A:GLY573 4.1 20.6 1.0 O A:THR506 4.1 20.1 1.0 HA3 A:GLY572 4.1 18.2 1.0 OE1 A:GLU509 4.2 21.3 1.0 OD1 A:ASP580 4.3 28.7 1.0 HA2 A:GLY573 4.3 21.9 1.0 CA A:GLY507 4.3 19.9 1.0 OD2 A:ASP549 4.3 25.8 1.0 CD A:GLU509 4.4 23.5 1.0 O3A A:ADP801 4.5 21.9 1.0 CG A:ASP549 4.6 24.3 1.0 HA2 A:GLY572 4.7 18.2 1.0 CA A:GLY573 4.7 22.8 1.0 OG1 A:THR506 4.7 21.1 1.0 CA A:GLY572 4.8 18.0 1.0 C A:THR506 4.8 21.5 1.0 C8 A:ADP801 4.8 17.3 1.0 C A:GLY572 4.9 19.4 1.0 HG1 A:THR506 4.9 21.2 0.0 HA3 A:GLY573 4.9 21.9 1.0 C2' A:ADP801 4.9 21.7 1.0 MG A:MG803 4.9 25.7 1.0 N A:GLY507 5.0 19.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide


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 Ternary Complex of Gephe-Adp-Gaba(A) Receptor Derived Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg803 b:25.7 occ:1.00 O A:HOH1173 1.9 28.7 1.0 O1B A:ADP801 2.1 27.6 1.0 O1A A:ADP801 2.1 22.3 1.0 OD2 A:ASP580 2.1 27.2 1.0 OD1 A:ASP580 2.3 28.7 1.0 CG A:ASP580 2.5 28.2 1.0 HB2 A:SER575 2.9 31.3 1.0 PA A:ADP801 3.2 21.5 1.0 PB A:ADP801 3.3 24.8 1.0 H A:SER575 3.6 26.1 1.0 O3A A:ADP801 3.6 21.9 1.0 O3B A:ADP801 3.7 27.4 1.0 CB A:SER575 3.8 31.3 1.0 H A:GLY577 3.9 34.9 1.0 O2A A:ADP801 3.9 18.7 1.0 O A:HOH971 3.9 23.2 1.0 O A:HOH920 3.9 41.1 1.0 CB A:ASP580 4.0 27.8 1.0 HA3 A:GLY577 4.0 34.9 1.0 H A:GLY573 4.1 20.8 1.0 HG A:SER575 4.3 35.4 0.0 HA2 A:GLY573 4.3 21.9 1.0 HB3 A:ASP580 4.3 28.6 1.0 HB3 A:SER575 4.3 31.4 1.0 O A:HOH1224 4.4 34.1 1.0 N A:SER575 4.4 26.2 1.0 OG A:SER575 4.4 34.9 1.0 H5'2 A:ADP801 4.4 21.8 1.0 HB2 A:ASP580 4.4 28.7 1.0 O2B A:ADP801 4.5 29.4 1.0 O5' A:ADP801 4.5 20.8 1.0 CA A:SER575 4.5 28.1 1.0 H A:VAL574 4.6 21.6 1.0 N A:GLY577 4.6 33.9 1.0 CA A:GLY577 4.8 34.1 1.0 N A:GLY573 4.8 20.6 1.0 HA A:ASP580 4.9 31.6 1.0 O A:HOH1194 4.9 22.3 1.0 CA A:GLY573 4.9 22.8 1.0 C A:SER575 4.9 27.7 1.0 C5' A:ADP801 4.9 21.5 1.0 MG A:MG802 4.9 21.8 1.0

V.B.Kasaragod, T.J.Hausrat, N.Schaefer, M.Kuhn, N.R.Christensen, I.Tessmer, H.M.Maric, K.L.Madsen, C.Sotriffer, C.Villmann, M.Kneussel, H.Schindelin. Elucidating the Molecular Basis For Inhibitory Neurotransmission Regulation By Artemisinins. Neuron V. 101 673 2019.
ISSN: ISSN 1097-4199
PubMed: 30704910
DOI: 10.1016/J.NEURON.2019.01.001