Magnesium in PDB 7mi3: Signal Subtracted Reconstruction of AAA2, AAA3, and AAA4 Domains of Dynein in the Presence of A Pyrazolo-Pyrimidinone-Based Compound, Model 4

The structure of Signal Subtracted Reconstruction of AAA2, AAA3, and AAA4 Domains of Dynein in the Presence of A Pyrazolo-Pyrimidinone-Based Compound, Model 4 also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Bromine	(Br)	2 atoms

The binding sites of Magnesium atom in the Signal Subtracted Reconstruction of AAA2, AAA3, and AAA4 Domains of Dynein in the Presence of A Pyrazolo-Pyrimidinone-Based Compound, Model 4 (pdb code 7mi3). 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 Signal Subtracted Reconstruction of AAA2, AAA3, and AAA4 Domains of Dynein in the Presence of A Pyrazolo-Pyrimidinone-Based Compound, Model 4, PDB code: 7mi3:

Magnesium binding site 1 out of 1 in the Signal Subtracted Reconstruction of AAA2, AAA3, and AAA4 Domains of Dynein in the Presence of A Pyrazolo-Pyrimidinone-Based Compound, Model 4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Signal Subtracted Reconstruction of AAA2, AAA3, and AAA4 Domains of Dynein in the Presence of A Pyrazolo-Pyrimidinone-Based Compound, Model 4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg4204 b:111.8 occ:1.00 O3G A:ATP4203 2.0 119.0 1.0 OG1 A:THR2081 2.0 107.1 1.0 O1B A:ATP4203 2.0 119.0 1.0 OE2 A:GLU2195 2.6 106.0 1.0 CB A:THR2081 3.1 107.1 1.0 PB A:ATP4203 3.2 119.0 1.0 PG A:ATP4203 3.3 119.0 1.0 O3B A:ATP4203 3.6 119.0 1.0 CD A:GLU2195 3.6 106.0 1.0 OE2 A:GLU2511 3.7 113.0 1.0 O3A A:ATP4203 3.7 119.0 1.0 CG2 A:THR2081 3.9 107.1 1.0 OE1 A:GLU2195 4.0 106.0 1.0 O2A A:ATP4203 4.2 119.0 1.0 N A:THR2081 4.2 107.1 1.0 O2G A:ATP4203 4.2 119.0 1.0 CA A:THR2081 4.2 107.1 1.0 NH2 A:ARG2549 4.3 110.6 1.0 O1G A:ATP4203 4.3 119.0 1.0 PA A:ATP4203 4.4 119.0 1.0 O2B A:ATP4203 4.5 119.0 1.0 O1A A:ATP4203 4.6 119.0 1.0 CG A:LYS2080 4.6 106.6 1.0 CD A:GLU2511 4.7 113.0 1.0 CG A:GLU2195 4.8 106.0 1.0 NH1 A:ARG2552 4.9 112.1 1.0

C.C.Santarossa, K.J.Mickolajczyk, J.B.Steinman, L.Urnavicius, N.Chen, Y.Hirata, Y.Fukase, N.Coudray, D.C.Ekiert, G.Bhabha, T.M.Kapoor. Targeting Allostery in the Dynein Motor Domain with Small Molecule Inhibitors Cell Chem Biol 2021.
ISSN: ESSN 2451-9456
DOI: 10.1016/J.CHEMBIOL.2021.04.024