Bromine 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
Magnesium	(Mg)	1 atom

The binding sites of Bromine 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 Bromine atom.
In total 2 binding sites of Bromine 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 Bromine binding site number: 1; 2;

Bromine 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 Bromine with other atoms in the Br 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:Br4201 b:136.6 occ:1.00 BR22 A:ZG74201 0.0 136.6 1.0 C21 A:ZG74201 1.9 136.6 1.0 C23 A:ZG74201 2.9 136.6 1.0 C20 A:ZG74201 2.9 136.6 1.0 O A:ALA2761 3.1 124.2 1.0 NZ A:LYS2766 3.3 120.1 1.0 CD A:LYS2766 3.6 120.1 1.0 CE A:LYS2766 3.7 120.1 1.0 CA A:SER2762 3.7 124.7 1.0 C A:ALA2761 4.0 124.2 1.0 C24 A:ZG74201 4.2 136.6 1.0 N A:SER2762 4.2 124.7 1.0 C19 A:ZG74201 4.2 136.6 1.0 CB A:CYS2892 4.3 133.7 1.0 CG A:LYS2766 4.3 120.1 1.0 CB A:SER2762 4.4 124.7 1.0 OG A:SER2762 4.5 124.7 1.0 CA A:CYS2892 4.6 133.7 1.0 C A:SER2762 4.7 124.7 1.0 C25 A:ZG74201 4.7 136.6 1.0 CB A:LYS2766 4.7 120.1 1.0 N A:ARG2763 4.8 125.2 1.0 N A:CYS2892 4.9 133.7 1.0

Bromine 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 Bromine with other atoms in the Br 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:Br4202 b:135.7 occ:1.00 BR22 A:ZG74202 0.0 135.7 1.0 C21 A:ZG74202 1.9 135.7 1.0 C23 A:ZG74202 2.9 135.7 1.0 C20 A:ZG74202 2.9 135.7 1.0 CA A:PRO2420 3.6 119.2 1.0 CB A:PRO2420 3.8 119.2 1.0 N A:GLY2421 3.9 124.3 1.0 NH1 A:ARG2620 4.0 122.3 1.0 C A:PRO2420 4.0 119.2 1.0 C24 A:ZG74202 4.2 135.7 1.0 C19 A:ZG74202 4.2 135.7 1.0 NZ A:LYS2424 4.3 122.0 1.0 OD1 A:ASN2536 4.3 122.7 1.0 NH2 A:ARG2620 4.4 122.3 1.0 ND2 A:ASN2536 4.5 122.7 1.0 ND2 A:ASN2910 4.5 124.3 1.0 CZ A:ARG2620 4.6 122.3 1.0 C25 A:ZG74202 4.7 135.7 1.0 CG A:ASN2536 4.9 122.7 1.0 N A:PRO2420 4.9 119.2 1.0 CA A:GLY2421 4.9 124.3 1.0 CE A:LYS2424 4.9 122.0 1.0 OE2 A:GLU2488 4.9 119.2 1.0 CG A:ASN2910 5.0 124.3 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