Fluorine in PDB 7sii: Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)

Other elements in 7sii:

The structure of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) (pdb code 7sii). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53), PDB code: 7sii:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in 7sii

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Fluorine binding site 1 out of 8 in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:68.5
occ:1.00
 F10 A:9IM401 0.0 68.5 1.0
C09 A:9IM401 1.4 68.5 1.0
C11 A:9IM401 2.4 68.5 1.0
C08 A:9IM401 2.4 68.5 1.0
H072 A:9IM401 2.4 68.5 1.0
H171 A:9IM401 2.4 68.5 1.0
HA B:HIS50 2.5 68.9 1.0
H111 A:9IM401 2.5 68.5 1.0
C07 A:9IM401 2.9 68.5 1.0
HB2 B:HIS50 2.9 68.9 1.0
HD2 B:HIS50 3.1 68.9 1.0
CA B:HIS50 3.2 68.9 1.0
F25 A:9IM401 3.2 68.5 1.0
H211 A:9IM401 3.3 68.5 1.0
C17 A:9IM401 3.3 68.5 1.0
CB B:HIS50 3.4 68.9 1.0
N B:HIS50 3.4 68.9 1.0
C24 A:9IM401 3.5 68.5 1.0
H261 A:9IM401 3.5 68.5 1.0
H071 A:9IM401 3.6 68.5 1.0
C12 A:9IM401 3.6 68.5 1.0
C14 A:9IM401 3.6 68.5 1.0
C26 A:9IM401 3.6 68.5 1.0
H B:HIS50 3.7 68.9 1.0
N06 A:9IM401 3.7 68.5 1.0
CD2 B:HIS50 3.8 68.9 1.0
C16 A:9IM401 3.8 68.5 1.0
C B:LEU49 3.9 70.7 1.0
CG B:HIS50 4.0 68.9 1.0
N21 A:9IM401 4.0 68.5 1.0
O B:LEU49 4.1 70.7 1.0
OG B:SER53 4.1 69.8 1.0
C13 A:9IM401 4.1 68.5 1.0
HB3 B:LEU49 4.2 70.7 1.0
HG B:SER53 4.2 69.8 1.0
C23 A:9IM401 4.3 68.5 1.0
HB3 B:HIS50 4.3 68.9 1.0
O B:TYR46 4.4 70.1 1.0
H121 A:9IM401 4.4 68.5 1.0
HB2 B:LEU49 4.4 70.7 1.0
HB3 B:SER53 4.4 69.8 1.0
C18 A:9IM401 4.4 68.5 1.0
C B:HIS50 4.5 68.9 1.0
C27 A:9IM401 4.6 68.5 1.0
CB B:LEU49 4.7 70.7 1.0
C19 A:9IM401 4.7 68.5 1.0
CB B:SER53 4.8 69.8 1.0
C22 A:9IM401 4.8 68.5 1.0
O B:HIS50 4.9 68.9 1.0
CA B:LEU49 4.9 70.7 1.0

Fluorine binding site 2 out of 8 in 7sii

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Fluorine binding site 2 out of 8 in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:68.5
occ:1.00
 F25 A:9IM401 0.0 68.5 1.0
C24 A:9IM401 1.4 68.5 1.0
C23 A:9IM401 2.4 68.5 1.0
C26 A:9IM401 2.4 68.5 1.0
H111 A:9IM401 2.5 68.5 1.0
N21 A:9IM401 2.5 68.5 1.0
H211 A:9IM401 2.6 68.5 1.0
H261 A:9IM401 2.6 68.5 1.0
C22 A:9IM401 2.8 68.5 1.0
H222 A:9IM401 2.9 68.5 1.0
C11 A:9IM401 3.0 68.5 1.0
H171 A:9IM401 3.0 68.5 1.0
HD3 A:PRO115 3.0 70.4 1.0
HA2 A:GLY114 3.0 67.9 1.0
C19 A:9IM401 3.2 68.5 1.0
F10 A:9IM401 3.2 68.5 1.0
C09 A:9IM401 3.3 68.5 1.0
HA3 A:GLY114 3.6 67.9 1.0
C30 A:9IM401 3.6 68.5 1.0
C27 A:9IM401 3.6 68.5 1.0
C17 A:9IM401 3.7 68.5 1.0
H221 A:9IM401 3.7 68.5 1.0
CA A:GLY114 3.8 67.9 1.0
O20 A:9IM401 3.8 68.5 1.0
HD2 A:PRO115 3.8 70.4 1.0
CD A:PRO115 3.8 70.4 1.0
C18 A:9IM401 3.9 68.5 1.0
C12 A:9IM401 3.9 68.5 1.0
HH A:TYR106 4.1 67.5 1.0
C29 A:9IM401 4.1 68.5 1.0
H121 A:9IM401 4.1 68.5 1.0
HB2 B:HIS50 4.3 68.9 1.0
C08 A:9IM401 4.4 68.5 1.0
OH A:TYR106 4.5 67.5 1.0
HB3 B:TYR46 4.5 70.1 1.0
HG2 A:MET120 4.5 70.7 1.0
N A:GLY114 4.6 67.9 1.0
N A:PRO115 4.7 70.4 1.0
HD2 B:HIS50 4.7 68.9 1.0
F31 A:9IM401 4.7 68.5 1.0
F28 A:9IM401 4.8 68.5 1.0
C A:GLY114 4.8 67.9 1.0
HG22 A:VAL113 4.8 67.1 1.0
HG3 A:MET120 4.8 70.7 1.0
CG A:PRO115 4.8 70.4 1.0
C16 A:9IM401 4.9 68.5 1.0
C13 A:9IM401 4.9 68.5 1.0
HG2 A:PRO115 4.9 70.4 1.0
HD1 B:TYR46 4.9 70.1 1.0
HG3 A:PRO115 5.0 70.4 1.0
H A:GLY114 5.0 67.9 1.0
O A:VAL113 5.0 67.1 1.0

Fluorine binding site 3 out of 8 in 7sii

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Fluorine binding site 3 out of 8 in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:68.5
occ:1.00
 F28 A:9IM401 0.0 68.5 1.0
C27 A:9IM401 1.4 68.5 1.0
C26 A:9IM401 2.4 68.5 1.0
C29 A:9IM401 2.4 68.5 1.0
HB3 A:LEU123 2.4 71.1 1.0
HD23 A:LEU123 2.5 71.1 1.0
H261 A:9IM401 2.6 68.5 1.0
H291 A:9IM401 2.6 68.5 1.0
HA B:LEU47 2.6 69.7 1.0
HB2 B:HIS50 3.0 68.9 1.0
CB A:LEU123 3.3 71.1 1.0
O B:TYR46 3.3 70.1 1.0
HB3 B:HIS50 3.3 68.9 1.0
CD2 A:LEU123 3.4 71.1 1.0
HB3 B:TYR46 3.4 70.1 1.0
CA B:LEU47 3.4 69.7 1.0
C B:TYR46 3.5 70.1 1.0
CB B:HIS50 3.5 68.9 1.0
HB2 A:LEU123 3.6 71.1 1.0
N B:LEU47 3.6 69.7 1.0
HD22 A:LEU123 3.6 71.1 1.0
C24 A:9IM401 3.6 68.5 1.0
C30 A:9IM401 3.6 68.5 1.0
CG A:LEU123 3.8 71.1 1.0
HG A:LEU123 3.9 71.1 1.0
HB2 B:LEU47 4.0 69.7 1.0
CG B:HIS50 4.0 68.9 1.0
H B:LEU47 4.1 69.7 1.0
CB B:TYR46 4.1 70.1 1.0
HD21 A:LEU123 4.1 71.1 1.0
C23 A:9IM401 4.1 68.5 1.0
HB2 B:TYR46 4.2 70.1 1.0
CB B:LEU47 4.3 69.7 1.0
ND1 B:HIS50 4.3 68.9 1.0
H B:HIS50 4.4 68.9 1.0
C A:LEU123 4.4 71.1 1.0
CA B:TYR46 4.4 70.1 1.0
CA A:LEU123 4.4 71.1 1.0
C B:LEU47 4.5 69.7 1.0
H111 A:9IM401 4.5 68.5 1.0
O A:LEU123 4.5 71.1 1.0
HG B:LEU47 4.6 69.7 1.0
O B:LEU47 4.6 69.7 1.0
F25 A:9IM401 4.8 68.5 1.0
F31 A:9IM401 4.8 68.5 1.0
HA A:LEU123 4.8 71.1 1.0
HA B:TYR46 4.8 70.1 1.0
N A:LEU124 4.8 69.3 1.0
CD2 B:HIS50 4.9 68.9 1.0
HA A:LEU124 4.9 69.3 1.0
CA B:HIS50 4.9 68.9 1.0
HB3 A:SER127 4.9 71.0 1.0
HG2 A:PRO115 4.9 70.4 1.0
HD12 B:LEU47 5.0 69.7 1.0

Fluorine binding site 4 out of 8 in 7sii

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Fluorine binding site 4 out of 8 in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:68.5
occ:1.00
 F31 A:9IM401 0.0 68.5 1.0
C30 A:9IM401 1.4 68.5 1.0
C23 A:9IM401 2.4 68.5 1.0
C29 A:9IM401 2.4 68.5 1.0
HB2 A:LEU124 2.4 69.3 1.0
H221 A:9IM401 2.5 68.5 1.0
HD13 A:LEU124 2.5 69.3 1.0
H291 A:9IM401 2.6 68.5 1.0
HG2 A:MET120 2.6 70.7 1.0
C22 A:9IM401 2.9 68.5 1.0
HD22 A:LEU124 3.1 69.3 1.0
SD A:MET120 3.2 70.7 1.0
CG A:MET120 3.3 70.7 1.0
CB A:LEU124 3.3 69.3 1.0
HB2 A:SER53 3.3 65.8 1.0
H222 A:9IM401 3.4 68.5 1.0
CD1 A:LEU124 3.4 69.3 1.0
O A:MET120 3.5 70.7 1.0
C24 A:9IM401 3.6 68.5 1.0
C27 A:9IM401 3.6 68.5 1.0
HG3 A:MET120 3.7 70.7 1.0
CG A:LEU124 3.7 69.3 1.0
HA A:LEU124 3.8 69.3 1.0
CD2 A:LEU124 3.8 69.3 1.0
H A:LEU124 3.9 69.3 1.0
HD11 A:LEU124 4.0 69.3 1.0
HB3 A:LEU124 4.0 69.3 1.0
CA A:LEU124 4.0 69.3 1.0
HD12 A:LEU124 4.0 69.3 1.0
N21 A:9IM401 4.0 68.5 1.0
C26 A:9IM401 4.1 68.5 1.0
N A:LEU124 4.1 69.3 1.0
CB A:SER53 4.2 65.8 1.0
H211 A:9IM401 4.2 68.5 1.0
HB3 A:SER53 4.2 65.8 1.0
C A:MET120 4.3 70.7 1.0
HD23 A:LEU124 4.4 69.3 1.0
HA A:MET120 4.4 70.7 1.0
HD21 A:LEU124 4.5 69.3 1.0
NE2 B:HIS50 4.5 68.9 1.0
CB A:MET120 4.5 70.7 1.0
CD2 B:HIS50 4.6 68.9 1.0
HG A:LEU124 4.6 69.3 1.0
HA A:SER53 4.6 65.8 1.0
CA A:MET120 4.7 70.7 1.0
F25 A:9IM401 4.7 68.5 1.0
HD2 B:HIS50 4.8 68.9 1.0
F28 A:9IM401 4.8 68.5 1.0
HB2 A:LEU123 4.8 71.1 1.0
CE1 B:HIS50 4.9 68.9 1.0
CE A:MET120 4.9 70.7 1.0
HB3 A:LEU123 4.9 71.1 1.0
CA A:SER53 5.0 65.8 1.0

Fluorine binding site 5 out of 8 in 7sii

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Fluorine binding site 5 out of 8 in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F401

b:68.5
occ:1.00
 F10 C:9IM401 0.0 68.5 1.0
C09 C:9IM401 1.4 68.5 1.0
C11 C:9IM401 2.4 68.5 1.0
C08 C:9IM401 2.4 68.5 1.0
H072 C:9IM401 2.4 68.5 1.0
H171 C:9IM401 2.4 68.5 1.0
HA D:HIS50 2.5 69.0 1.0
H111 C:9IM401 2.5 68.5 1.0
C07 C:9IM401 2.9 68.5 1.0
HB2 D:HIS50 3.0 69.0 1.0
HD2 D:HIS50 3.1 69.0 1.0
CA D:HIS50 3.2 69.0 1.0
F25 C:9IM401 3.2 68.5 1.0
H211 C:9IM401 3.3 68.5 1.0
C17 C:9IM401 3.3 68.5 1.0
N D:HIS50 3.5 69.0 1.0
CB D:HIS50 3.5 69.0 1.0
C24 C:9IM401 3.5 68.5 1.0
H261 C:9IM401 3.6 68.5 1.0
H071 C:9IM401 3.6 68.5 1.0
C12 C:9IM401 3.6 68.5 1.0
C14 C:9IM401 3.6 68.5 1.0
C26 C:9IM401 3.7 68.5 1.0
N06 C:9IM401 3.7 68.5 1.0
H D:HIS50 3.7 69.0 1.0
CD2 D:HIS50 3.8 69.0 1.0
C16 C:9IM401 3.8 68.5 1.0
C D:LEU49 3.9 71.1 1.0
CG D:HIS50 4.0 69.0 1.0
N21 C:9IM401 4.0 68.5 1.0
OG D:SER53 4.1 70.1 1.0
O D:LEU49 4.1 71.1 1.0
C13 C:9IM401 4.1 68.5 1.0
HB3 D:LEU49 4.2 71.1 1.0
HG D:SER53 4.2 70.1 1.0
HB3 D:SER53 4.3 70.1 1.0
C23 C:9IM401 4.4 68.5 1.0
HB3 D:HIS50 4.4 69.0 1.0
H121 C:9IM401 4.4 68.5 1.0
HB2 D:LEU49 4.4 71.1 1.0
O D:TYR46 4.4 70.6 1.0
C18 C:9IM401 4.4 68.5 1.0
C D:HIS50 4.5 69.0 1.0
C27 C:9IM401 4.6 68.5 1.0
CB D:LEU49 4.7 71.1 1.0
C19 C:9IM401 4.7 68.5 1.0
CB D:SER53 4.7 70.1 1.0
O D:HIS50 4.8 69.0 1.0
C22 C:9IM401 4.9 68.5 1.0
CA D:LEU49 4.9 71.1 1.0

Fluorine binding site 6 out of 8 in 7sii

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Fluorine binding site 6 out of 8 in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F401

b:68.5
occ:1.00
 F25 C:9IM401 0.0 68.5 1.0
C24 C:9IM401 1.4 68.5 1.0
C23 C:9IM401 2.4 68.5 1.0
C26 C:9IM401 2.4 68.5 1.0
N21 C:9IM401 2.5 68.5 1.0
H111 C:9IM401 2.5 68.5 1.0
H211 C:9IM401 2.6 68.5 1.0
H261 C:9IM401 2.6 68.5 1.0
C22 C:9IM401 2.8 68.5 1.0
H222 C:9IM401 2.9 68.5 1.0
H171 C:9IM401 3.0 68.5 1.0
C11 C:9IM401 3.0 68.5 1.0
HA2 C:GLY114 3.0 68.0 1.0
HD3 C:PRO115 3.1 70.8 1.0
C19 C:9IM401 3.2 68.5 1.0
F10 C:9IM401 3.2 68.5 1.0
C09 C:9IM401 3.3 68.5 1.0
HA3 C:GLY114 3.6 68.0 1.0
C30 C:9IM401 3.6 68.5 1.0
C27 C:9IM401 3.6 68.5 1.0
C17 C:9IM401 3.7 68.5 1.0
H221 C:9IM401 3.7 68.5 1.0
O20 C:9IM401 3.7 68.5 1.0
CA C:GLY114 3.8 68.0 1.0
HD2 C:PRO115 3.8 70.8 1.0
CD C:PRO115 3.8 70.8 1.0
C18 C:9IM401 3.9 68.5 1.0
C12 C:9IM401 3.9 68.5 1.0
HH C:TYR106 4.1 68.0 1.0
C29 C:9IM401 4.1 68.5 1.0
H121 C:9IM401 4.1 68.5 1.0
HB2 D:HIS50 4.3 69.0 1.0
C08 C:9IM401 4.4 68.5 1.0
OH C:TYR106 4.5 68.0 1.0
HG2 C:MET120 4.6 71.1 1.0
HB3 D:TYR46 4.6 70.6 1.0
N C:GLY114 4.6 68.0 1.0
HD2 D:HIS50 4.7 69.0 1.0
F31 C:9IM401 4.8 68.5 1.0
F28 C:9IM401 4.8 68.5 1.0
N C:PRO115 4.8 70.8 1.0
HG22 C:VAL113 4.8 67.3 1.0
HG3 C:MET120 4.8 71.1 1.0
C C:GLY114 4.8 68.0 1.0
C16 C:9IM401 4.9 68.5 1.0
C13 C:9IM401 4.9 68.5 1.0
CG C:PRO115 4.9 70.8 1.0
O C:VAL113 5.0 67.3 1.0
HG2 C:PRO115 5.0 70.8 1.0
HD1 D:TYR46 5.0 70.6 1.0

Fluorine binding site 7 out of 8 in 7sii

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Fluorine binding site 7 out of 8 in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F401

b:68.5
occ:1.00
 F28 C:9IM401 0.0 68.5 1.0
C27 C:9IM401 1.4 68.5 1.0
C26 C:9IM401 2.4 68.5 1.0
C29 C:9IM401 2.4 68.5 1.0
HB3 C:LEU123 2.4 71.5 1.0
H261 C:9IM401 2.6 68.5 1.0
H291 C:9IM401 2.6 68.5 1.0
HD23 C:LEU123 2.6 71.5 1.0
HA D:LEU47 2.7 70.1 1.0
HB2 D:HIS50 2.9 69.0 1.0
CB C:LEU123 3.3 71.5 1.0
HB3 D:HIS50 3.3 69.0 1.0
O D:TYR46 3.4 70.6 1.0
CD2 C:LEU123 3.4 71.5 1.0
HB3 D:TYR46 3.4 70.6 1.0
CA D:LEU47 3.5 70.1 1.0
CB D:HIS50 3.5 69.0 1.0
HB2 C:LEU123 3.5 71.5 1.0
C D:TYR46 3.6 70.6 1.0
HD22 C:LEU123 3.6 71.5 1.0
C24 C:9IM401 3.6 68.5 1.0
C30 C:9IM401 3.6 68.5 1.0
N D:LEU47 3.7 70.1 1.0
CG C:LEU123 3.8 71.5 1.0
HG C:LEU123 3.9 71.5 1.0
CG D:HIS50 4.0 69.0 1.0
HB2 D:LEU47 4.0 70.1 1.0
C23 C:9IM401 4.1 68.5 1.0
HD21 C:LEU123 4.2 71.5 1.0
CB D:TYR46 4.2 70.6 1.0
H D:LEU47 4.2 70.1 1.0
HB2 D:TYR46 4.3 70.6 1.0
ND1 D:HIS50 4.3 69.0 1.0
CB D:LEU47 4.3 70.1 1.0
C C:LEU123 4.4 71.5 1.0
CA C:LEU123 4.4 71.5 1.0
H D:HIS50 4.4 69.0 1.0
O C:LEU123 4.5 71.5 1.0
CA D:TYR46 4.5 70.6 1.0
H111 C:9IM401 4.5 68.5 1.0
C D:LEU47 4.6 70.1 1.0
HG D:LEU47 4.7 70.1 1.0
O D:LEU47 4.7 70.1 1.0
F25 C:9IM401 4.8 68.5 1.0
F31 C:9IM401 4.8 68.5 1.0
N C:LEU124 4.8 69.6 1.0
HA C:LEU123 4.8 71.5 1.0
HA C:LEU124 4.8 69.6 1.0
CD2 D:HIS50 4.8 69.0 1.0
HA D:TYR46 4.9 70.6 1.0
HB3 C:SER127 4.9 71.3 1.0
CA D:HIS50 4.9 69.0 1.0
HG2 C:PRO115 4.9 70.8 1.0

Fluorine binding site 8 out of 8 in 7sii

Go back to Fluorine Binding Sites List in 7sii
Fluorine binding site 8 out of 8 in the Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human Sting Bound to Both Cgamp and 1-[(2-Chloro-6-Fluorophenyl) Methyl]-3,3-Dimethyl-2-Oxo-N-[(2,4,6-Trifluorophenyl)Methyl]-2,3- Dihydro-1H-Indole-6-Carboxamide (Compound 53) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F401

b:68.5
occ:1.00
 F31 C:9IM401 0.0 68.5 1.0
C30 C:9IM401 1.4 68.5 1.0
C23 C:9IM401 2.4 68.5 1.0
C29 C:9IM401 2.4 68.5 1.0
HB2 C:LEU124 2.5 69.6 1.0
H221 C:9IM401 2.5 68.5 1.0
HD13 C:LEU124 2.5 69.6 1.0
H291 C:9IM401 2.6 68.5 1.0
HG2 C:MET120 2.6 71.1 1.0
C22 C:9IM401 2.9 68.5 1.0
HD22 C:LEU124 3.0 69.6 1.0
SD C:MET120 3.2 71.1 1.0
HB2 C:SER53 3.2 66.3 1.0
CG C:MET120 3.3 71.1 1.0
CB C:LEU124 3.3 69.6 1.0
H222 C:9IM401 3.3 68.5 1.0
CD1 C:LEU124 3.4 69.6 1.0
O C:MET120 3.6 71.1 1.0
HG3 C:MET120 3.6 71.1 1.0
C24 C:9IM401 3.6 68.5 1.0
C27 C:9IM401 3.6 68.5 1.0
CG C:LEU124 3.7 69.6 1.0
CD2 C:LEU124 3.8 69.6 1.0
HA C:LEU124 3.9 69.6 1.0
HD11 C:LEU124 3.9 69.6 1.0
HB3 C:LEU124 4.0 69.6 1.0
H C:LEU124 4.0 69.6 1.0
HD12 C:LEU124 4.0 69.6 1.0
CB C:SER53 4.1 66.3 1.0
CA C:LEU124 4.1 69.6 1.0
N21 C:9IM401 4.1 68.5 1.0
HB3 C:SER53 4.1 66.3 1.0
C26 C:9IM401 4.1 68.5 1.0
H211 C:9IM401 4.2 68.5 1.0
N C:LEU124 4.2 69.6 1.0
HD23 C:LEU124 4.3 69.6 1.0
C C:MET120 4.4 71.1 1.0
HD21 C:LEU124 4.4 69.6 1.0
HA C:MET120 4.5 71.1 1.0
NE2 D:HIS50 4.5 69.0 1.0
HA C:SER53 4.5 66.3 1.0
CB C:MET120 4.6 71.1 1.0
CD2 D:HIS50 4.6 69.0 1.0
HG C:LEU124 4.6 69.6 1.0
CA C:MET120 4.7 71.1 1.0
F25 C:9IM401 4.8 68.5 1.0
HD2 D:HIS50 4.8 69.0 1.0
F28 C:9IM401 4.8 68.5 1.0
CE C:MET120 4.8 71.1 1.0
CA C:SER53 4.9 66.3 1.0
CE1 D:HIS50 4.9 69.0 1.0
HB2 C:LEU123 4.9 71.5 1.0
HE2 C:MET120 5.0 71.1 1.0

Reference:

D.Lu, G.Shang, J.Li, Y.Lu, X.C.Bai, X.Zhang. Activation of Sting By Targeting A Pocket in the Transmembrane Domain. Nature V. 604 557 2022.
ISSN: ESSN 1476-4687
PubMed: 35388221
DOI: 10.1038/S41586-022-04559-7
Page generated: Fri Aug 2 13:01:34 2024

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