Magnesium in PDB 6umt: High-Affinity Human Pd-1 Pd-L2 Complex

The structure of High-Affinity Human Pd-1 Pd-L2 Complex, PDB code: 6umt was solved by S.Tang, P.S.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.51 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.291, 67.798, 89.701, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 22.6

The binding sites of Magnesium atom in the High-Affinity Human Pd-1 Pd-L2 Complex (pdb code 6umt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the High-Affinity Human Pd-1 Pd-L2 Complex, PDB code: 6umt:

Magnesium binding site 1 out of 1 in the High-Affinity Human Pd-1 Pd-L2 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of High-Affinity Human Pd-1 Pd-L2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:10.2 occ:1.00 OE2 A:GLU146 2.0 35.5 1.0 OE1 A:GLU46 2.1 38.4 1.0 OE2 A:GLU46 2.4 42.1 1.0 OE1 A:GLU146 2.5 38.3 1.0 CD A:GLU146 2.6 44.1 1.0 CD A:GLU46 2.6 40.0 1.0 O A:HOH317 3.8 45.1 1.0 CG A:ARG115 4.0 38.0 1.0 CG A:GLU146 4.0 46.3 1.0 CG A:GLU46 4.1 38.5 1.0 O A:HOH337 4.3 41.7 1.0 CD A:ARG115 4.7 36.0 1.0 O A:HOH358 4.9 67.5 1.0 CA A:GLU146 4.9 37.7 1.0 CB A:GLU46 4.9 39.2 1.0 CB A:GLU146 5.0 39.4 1.0

S.Tang, P.S.Kim. A High-Affinity Human Pd-1/Pd-L2 Complex Informs Avenues For Small-Molecule Immune Checkpoint Drug Discovery. Proc.Natl.Acad.Sci.Usa 2019.
ISSN: ESSN 1091-6490
PubMed: 31727844
DOI: 10.1073/PNAS.1916916116