Fluorine in PDB 7niq: Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class)

Enzymatic activity of Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class)

All present enzymatic activity of Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class):
3.6.4.13;

Other elements in 7niq:

The structure of Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class) also contains other interesting chemical elements:

Aluminium (Al) 1 atom
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class) (pdb code 7niq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class), PDB code: 7niq:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7niq

Go back to Fluorine Binding Sites List in 7niq
Fluorine binding site 1 out of 4 in the Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1102

b:80.7
occ:1.00
 F1 B:ALF1102 0.0 80.7 1.0
AL B:ALF1102 1.8 80.7 1.0
F4 B:ALF1102 2.5 80.7 1.0
F3 B:ALF1102 2.5 80.7 1.0
O3B B:ADP1101 2.8 84.9 1.0
O2B B:ADP1101 3.4 84.9 1.0
OE2 B:GLU445 3.4 50.3 1.0
F2 B:ALF1102 3.6 80.7 1.0
PB B:ADP1101 3.7 84.9 1.0
CA B:GLY795 3.9 84.6 1.0
N B:GLY795 4.3 84.6 1.0
O3A B:ADP1101 4.6 84.9 1.0
CD B:GLU445 4.6 50.3 1.0
O1B B:ADP1101 4.9 84.9 1.0
C B:GLY795 4.9 84.6 1.0

Fluorine binding site 2 out of 4 in 7niq

Go back to Fluorine Binding Sites List in 7niq
Fluorine binding site 2 out of 4 in the Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1102

b:80.7
occ:1.00
 F2 B:ALF1102 0.0 80.7 1.0
AL B:ALF1102 1.8 80.7 1.0
F3 B:ALF1102 2.5 80.7 1.0
NZ B:LYS336 2.5 74.7 1.0
F4 B:ALF1102 2.5 80.7 1.0
O2B B:ADP1101 2.6 84.9 1.0
PB B:ADP1101 2.9 84.9 1.0
O1B B:ADP1101 2.9 84.9 1.0
CE B:LYS336 3.1 74.7 1.0
O3B B:ADP1101 3.2 84.9 1.0
CD B:LYS336 3.3 74.7 1.0
CA B:THR332 3.4 80.9 1.0
F1 B:ALF1102 3.6 80.7 1.0
CG2 B:THR332 3.8 80.9 1.0
CB B:THR332 3.9 80.9 1.0
CB B:ALA490 4.1 70.3 1.0
N B:THR332 4.2 80.9 1.0
N B:GLY333 4.2 86.8 1.0
O B:PRO331 4.3 77.9 1.0
C B:THR332 4.3 80.9 1.0
CG B:LYS336 4.4 74.7 1.0
O3A B:ADP1101 4.4 84.9 1.0
C B:PRO331 4.5 77.9 1.0
O B:LEU330 4.7 72.6 1.0
N B:ALA490 4.9 70.3 1.0
CA B:ALA490 4.9 70.3 1.0

Fluorine binding site 3 out of 4 in 7niq

Go back to Fluorine Binding Sites List in 7niq
Fluorine binding site 3 out of 4 in the Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1102

b:80.7
occ:1.00
 F3 B:ALF1102 0.0 80.7 1.0
AL B:ALF1102 1.8 80.7 1.0
O2B B:ADP1101 2.2 84.9 1.0
F2 B:ALF1102 2.5 80.7 1.0
F1 B:ALF1102 2.5 80.7 1.0
PB B:ADP1101 3.3 84.9 1.0
CG2 B:THR332 3.3 80.9 1.0
CB B:THR332 3.5 80.9 1.0
F4 B:ALF1102 3.6 80.7 1.0
O3B B:ADP1101 3.6 84.9 1.0
CA B:THR332 3.9 80.9 1.0
O1B B:ADP1101 4.3 84.9 1.0
N B:GLY333 4.3 86.8 1.0
O3A B:ADP1101 4.4 84.9 1.0
OE1 B:GLN818 4.5 81.3 1.0
C B:THR332 4.7 80.9 1.0
OG1 B:THR332 4.8 80.9 1.0
NZ B:LYS336 4.9 74.7 1.0
OE2 B:GLU445 5.0 50.3 1.0

Fluorine binding site 4 out of 4 in 7niq

Go back to Fluorine Binding Sites List in 7niq
Fluorine binding site 4 out of 4 in the Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryoem Structure of Disease Related M854K MDA5-Dsrna Filament in Complex with Adp-ALF4(Major Class) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1102

b:80.7
occ:1.00
 F4 B:ALF1102 0.0 80.7 1.0
AL B:ALF1102 1.8 80.7 1.0
O3B B:ADP1101 2.3 84.9 1.0
F1 B:ALF1102 2.5 80.7 1.0
F2 B:ALF1102 2.5 80.7 1.0
PB B:ADP1101 3.2 84.9 1.0
CD B:LYS336 3.4 74.7 1.0
F3 B:ALF1102 3.6 80.7 1.0
OE2 B:GLU445 3.6 50.3 1.0
O2B B:ADP1101 3.7 84.9 1.0
O1B B:ADP1101 3.7 84.9 1.0
NZ B:LYS336 4.0 74.7 1.0
CE B:LYS336 4.2 74.7 1.0
CB B:LYS336 4.4 74.7 1.0
CG B:LYS336 4.4 74.7 1.0
O3A B:ADP1101 4.6 84.9 1.0
CD B:GLU445 4.7 50.3 1.0

Reference:

Q.Yu, A.Herrero Del Valle, R.Singh, Y.Modis. MDA5 Autoimmune Disease Variant M854K Prevents Atp-Dependent Structural Discrimination of Viral and Cellular Rna. Nat Commun 2021.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-021-27062-5
Page generated: Fri Aug 2 10:05:44 2024

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