Magnesium in PDB 7oow: Crystal Structure of PIM1 in Complex with Arc-1415

All present enzymatic activity of Crystal Structure of PIM1 in Complex with Arc-1415:
2.7.11.1;

The structure of Crystal Structure of PIM1 in Complex with Arc-1415, PDB code: 7oow was solved by A.Chaikuad, S.E.Dixon-Clarke, O.E.Nonga, A.Uri, A.Bullock, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.70 / 1.95
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	98.614, 98.614, 80.729, 90, 90, 120
R / Rfree (%)	16 / 18.4

The binding sites of Magnesium atom in the Crystal Structure of PIM1 in Complex with Arc-1415 (pdb code 7oow). 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 Crystal Structure of PIM1 in Complex with Arc-1415, PDB code: 7oow:

Magnesium binding site 1 out of 1 in the Crystal Structure of PIM1 in Complex with Arc-1415


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 PIM1 in Complex with Arc-1415 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:43.6 occ:1.00 O A:HOH514 2.0 39.5 1.0 O A:HOH521 2.1 34.9 1.0 O A:HOH524 2.1 32.2 1.0 O A:HOH588 2.2 35.0 1.0 OG A:SER189 2.2 35.2 1.0 O A:HOH640 2.2 39.6 1.0 CB A:SER189 3.3 33.4 1.0 OD2 A:ASP186 3.7 40.6 1.0 N A:SER189 3.8 28.1 1.0 OD1 A:ASP186 3.9 34.1 1.0 OD2 A:ASP167 4.0 30.3 1.0 CG A:ASP186 4.1 33.6 1.0 CA A:SER189 4.1 29.1 1.0 O A:HOH567 4.3 51.7 1.0 C A:GLY188 4.3 29.3 1.0 O A:HOH584 4.3 57.3 1.0 O A:HOH685 4.3 49.5 1.0 O A:ASP202 4.3 41.2 1.0 O A:HOH702 4.4 64.0 1.0 O A:HOH574 4.5 23.1 1.0 O A:GLY188 4.8 30.1 1.0 CA A:GLY188 4.8 29.1 1.0 CB A:PHE49 4.9 35.8 1.0 CG A:ASP167 5.0 30.2 1.0 N A:GLY188 5.0 26.9 1.0

O.E.Nonga, D.Lavogina, E.Enkvist, K.Kestav, A.Chaikuad, S.E.Dixon-Clarke, A.N.Bullock, S.Kopanchuk, T.Ivan, R.Ekambaram, K.Viht, S.Knapp, A.Uri. Crystal Structure-Guided Design of Bisubstrate Inhibitors and Photoluminescent Probes For Protein Kinases of the Pim Family. Molecules V. 26 2021.
ISSN: ESSN 1420-3049
PubMed: 34299628
DOI: 10.3390/MOLECULES26144353