Chlorine 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:

Magnesium	(Mg)	1 atom
Bromine	(Br)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where 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:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl4201 b:136.6 occ:1.00 CL01 A:ZG74201 0.0 136.6 1.0 C02 A:ZG74201 1.8 136.6 1.0 C07 A:ZG74201 2.7 136.6 1.0 C03 A:ZG74201 2.8 136.6 1.0 N A:VAL2733 3.0 135.9 1.0 O A:VAL2733 3.1 135.9 1.0 CA A:MET2732 3.5 141.7 1.0 CB A:MET2732 3.6 141.7 1.0 C A:MET2732 3.6 141.7 1.0 C A:VAL2733 3.8 135.9 1.0 CE1 A:HIS2735 3.8 127.2 1.0 CG2 A:VAL2733 3.8 135.9 1.0 CA A:VAL2733 3.9 135.9 1.0 CE A:MET2732 3.9 141.7 1.0 C06 A:ZG74201 4.0 136.6 1.0 C04 A:ZG74201 4.0 136.6 1.0 ND1 A:HIS2735 4.1 127.2 1.0 CG A:MET2732 4.1 141.7 1.0 CB A:VAL2733 4.5 135.9 1.0 C05 A:ZG74201 4.5 136.6 1.0 O A:MET2732 4.7 141.7 1.0 SD A:MET2738 4.9 129.3 1.0 N A:MET2732 4.9 141.7 1.0 CH2 A:TRP2920 4.9 127.5 1.0 N A:ILE2734 4.9 130.8 1.0 SD A:MET2732 4.9 141.7 1.0 O A:PRO2731 5.0 142.9 1.0

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl4202 b:135.7 occ:1.00 CL01 A:ZG74202 0.0 135.7 1.0 C02 A:ZG74202 1.8 135.7 1.0 C03 A:ZG74202 2.7 135.7 1.0 C07 A:ZG74202 2.7 135.7 1.0 O A:ILE2392 3.1 136.9 1.0 CG2 A:VAL2391 3.5 131.7 1.0 CG2 A:THR2397 3.6 134.4 1.0 N A:ILE2392 3.8 136.9 1.0 OG1 A:THR2394 3.9 138.8 1.0 C A:ILE2392 4.0 136.9 1.0 CB A:ILE2392 4.0 136.9 1.0 C06 A:ZG74202 4.0 135.7 1.0 C04 A:ZG74202 4.0 135.7 1.0 CA A:ILE2392 4.1 136.9 1.0 CD1 A:ILE2570 4.2 131.7 1.0 CE A:MET2426 4.3 128.0 1.0 C05 A:ZG74202 4.5 135.7 1.0 OG1 A:THR2397 4.5 134.4 1.0 CB A:THR2394 4.5 138.8 1.0 CG1 A:ILE2570 4.6 131.7 1.0 CB A:THR2397 4.6 134.4 1.0 C A:VAL2391 4.8 131.7 1.0 CG1 A:ILE2392 4.8 136.9 1.0 CB A:VAL2391 4.8 131.7 1.0 SD A:MET2426 4.8 128.0 1.0 CG2 A:ILE2392 5.0 136.9 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