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

Other elements in 7mi3:

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

Bromine Binding Sites:

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 7mi3

Go back to Bromine Binding Sites List in 7mi3
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 7mi3

Go back to Bromine Binding Sites List in 7mi3
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

Reference:

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
Page generated: Sat Jul 10 09:59:16 2021

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