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Fluorine in PDB 7dia: Falcilysin in Complex with Mefloquine

Protein crystallography data

The structure of Falcilysin in Complex with Mefloquine, PDB code: 7dia was solved by J.Q.Lin, A.El Sahili, J.Lescar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.77 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 93.46, 105.74, 126.35, 90, 90, 90
R / Rfree (%) 17.4 / 19.7

Other elements in 7dia:

The structure of Falcilysin in Complex with Mefloquine also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Falcilysin in Complex with Mefloquine (pdb code 7dia). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Falcilysin in Complex with Mefloquine, PDB code: 7dia:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 7dia

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Fluorine binding site 1 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:33.7
occ:1.00
FAE A:H8O1201 0.0 33.7 1.0
CAZ A:H8O1201 1.4 38.9 1.0
FAF A:H8O1201 2.2 37.5 1.0
FAG A:H8O1201 2.2 33.0 1.0
CAT A:H8O1201 2.4 30.5 1.0
NAP A:H8O1201 2.9 30.7 1.0
CAV A:H8O1201 3.0 34.6 1.0
CZ A:PHE82 3.4 27.8 1.0
CAI A:H8O1201 3.5 33.6 1.0
CE2 A:PHE82 3.5 29.7 1.0
CE1 A:PHE545 3.8 35.7 1.0
CE1 A:PHE527 4.0 35.9 1.0
CB A:ALA517 4.0 26.3 1.0
CD2 A:LEU514 4.0 31.4 1.0
CAR A:H8O1201 4.1 31.9 1.0
FAB A:H8O1201 4.2 48.5 1.0
CD1 A:PHE545 4.3 38.1 1.0
CAU A:H8O1201 4.3 30.7 1.0
CD1 A:PHE527 4.4 33.5 1.0
CE1 A:PHE82 4.4 29.2 1.0
CAH A:H8O1201 4.6 32.0 1.0
CD2 A:PHE82 4.6 27.9 1.0
CAY A:H8O1201 4.7 41.2 1.0
CZ A:PHE545 4.8 27.4 1.0
CAJ A:H8O1201 5.0 29.3 1.0

Fluorine binding site 2 out of 12 in 7dia

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Fluorine binding site 2 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:37.5
occ:1.00
FAF A:H8O1201 0.0 37.5 1.0
CAZ A:H8O1201 1.4 38.9 1.0
FAG A:H8O1201 2.2 33.0 1.0
FAE A:H8O1201 2.2 33.7 1.0
CAT A:H8O1201 2.4 30.5 1.0
CAI A:H8O1201 2.7 33.6 1.0
CE1 A:PHE527 3.2 35.9 1.0
CB A:ALA517 3.5 26.3 1.0
O A:HOH1753 3.5 31.2 1.0
CB A:ASP526 3.5 25.0 1.0
CD1 A:PHE527 3.6 33.5 1.0
CAV A:H8O1201 3.7 34.6 1.0
CAH A:H8O1201 4.0 32.0 1.0
NAP A:H8O1201 4.2 30.7 1.0
CG A:ASP526 4.3 35.8 1.0
OD2 A:ASP526 4.3 42.9 1.0
CZ A:PHE527 4.3 26.2 1.0
CE2 A:PHE82 4.4 29.7 1.0
CA A:ALA517 4.7 23.6 1.0
N A:PHE527 4.7 20.0 1.0
C A:ASP526 4.7 24.1 1.0
O A:ALA517 4.7 28.9 1.0
O A:LYS523 4.7 22.9 1.0
CA A:ASP526 4.7 25.8 1.0
CAU A:H8O1201 4.8 30.7 1.0
CG A:PHE527 4.8 23.9 1.0
C A:ALA517 4.9 31.7 1.0
CE1 A:PHE545 4.9 35.7 1.0
CZ A:PHE82 4.9 27.8 1.0
CAJ A:H8O1201 4.9 29.3 1.0

Fluorine binding site 3 out of 12 in 7dia

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Fluorine binding site 3 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:33.0
occ:1.00
FAG A:H8O1201 0.0 33.0 1.0
CAZ A:H8O1201 1.4 38.9 1.0
FAF A:H8O1201 2.2 37.5 1.0
FAE A:H8O1201 2.2 33.7 1.0
CAT A:H8O1201 2.3 30.5 1.0
NAP A:H8O1201 2.9 30.7 1.0
CAV A:H8O1201 3.0 34.6 1.0
CAI A:H8O1201 3.4 33.6 1.0
CD1 A:PHE527 3.5 33.5 1.0
CE1 A:PHE545 3.6 35.7 1.0
CG A:GLU530 3.7 25.1 0.5
CB A:ASP526 3.8 25.0 1.0
O A:ASP526 3.8 21.2 1.0
CE1 A:PHE527 3.8 35.9 1.0
C A:ASP526 3.9 24.1 1.0
CZ A:PHE545 4.0 27.4 1.0
N A:PHE527 4.1 20.0 1.0
CAR A:H8O1201 4.1 31.9 1.0
FAB A:H8O1201 4.2 48.5 1.0
CA A:PHE527 4.3 18.4 1.0
CAU A:H8O1201 4.3 30.7 1.0
CB A:GLU530 4.4 24.8 0.5
CB A:GLU530 4.4 24.9 0.5
CA A:ASP526 4.5 25.8 1.0
CAH A:H8O1201 4.5 32.0 1.0
CD1 A:PHE545 4.7 38.1 1.0
CG A:PHE527 4.7 23.9 1.0
CAY A:H8O1201 4.8 41.2 1.0
CG A:GLU530 4.9 26.1 0.5
CD A:GLU530 4.9 30.2 0.5
CAJ A:H8O1201 4.9 29.3 1.0
CG A:ASP526 5.0 35.8 1.0

Fluorine binding site 4 out of 12 in 7dia

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Fluorine binding site 4 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:43.5
occ:1.00
FAC A:H8O1201 0.0 43.5 1.0
CAY A:H8O1201 1.4 41.2 1.0
FAB A:H8O1201 2.2 48.5 1.0
FAD A:H8O1201 2.2 41.1 1.0
CAR A:H8O1201 2.4 31.9 1.0
OE2 A:GLU530 2.7 32.9 0.5
CAK A:H8O1201 2.8 30.5 1.0
OE1 A:GLU530 3.1 31.9 0.5
OH A:TYR413 3.1 26.7 1.0
CD A:GLU530 3.3 33.9 0.5
CD1 A:ILE544 3.4 47.6 1.0
NAP A:H8O1201 3.4 30.7 1.0
CE2 A:TYR413 3.5 22.6 1.0
CD A:GLU530 3.6 30.2 0.5
CZ A:TYR413 3.6 27.0 1.0
CG A:GLU530 3.8 26.1 0.5
OE1 A:GLU530 4.1 35.8 0.5
CAS A:H8O1201 4.1 30.9 1.0
CG A:GLU530 4.2 25.1 0.5
CG1 A:ILE544 4.2 43.1 1.0
OE2 A:GLU530 4.3 34.9 0.5
CAV A:H8O1201 4.6 34.6 1.0
O A:HOH1490 4.6 32.8 1.0
CD2 A:TYR413 4.6 25.1 1.0
CB A:ILE544 4.7 39.4 1.0
CB A:GLU530 4.8 24.9 0.5
CE1 A:TYR413 4.8 24.9 1.0
OAA A:H8O1201 4.8 31.6 1.0
CB A:GLU530 4.9 24.8 0.5
CAU A:H8O1201 4.9 30.7 1.0

Fluorine binding site 5 out of 12 in 7dia

Go back to Fluorine Binding Sites List in 7dia
Fluorine binding site 5 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:41.1
occ:1.00
FAD A:H8O1201 0.0 41.1 1.0
CAY A:H8O1201 1.4 41.2 1.0
FAC A:H8O1201 2.2 43.5 1.0
FAB A:H8O1201 2.2 48.5 1.0
CAR A:H8O1201 2.4 31.9 1.0
CAK A:H8O1201 3.0 30.5 1.0
NAP A:H8O1201 3.3 30.7 1.0
CE2 A:TYR413 3.8 22.6 1.0
CD2 A:LEU514 4.0 31.4 1.0
OH A:TYR413 4.2 26.7 1.0
CAS A:H8O1201 4.2 30.9 1.0
CD1 A:LEU514 4.4 34.9 1.0
CAV A:H8O1201 4.5 34.6 1.0
CD1 A:ILE544 4.5 47.6 1.0
CZ A:TYR413 4.5 27.0 1.0
CG1 A:ILE544 4.6 43.1 1.0
CD1 A:LEU417 4.6 22.0 1.0
CD2 A:TYR413 4.7 25.1 1.0
O A:ILE544 4.8 40.1 1.0
CB A:ILE544 4.8 39.4 1.0
CZ A:PHE414 4.8 25.2 1.0
CE1 A:PHE414 4.8 26.3 1.0
CG A:LEU514 4.9 32.3 1.0
OE2 A:GLU530 4.9 32.9 0.5
CAU A:H8O1201 4.9 30.7 1.0

Fluorine binding site 6 out of 12 in 7dia

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Fluorine binding site 6 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1201

b:48.5
occ:1.00
FAB A:H8O1201 0.0 48.5 1.0
CAY A:H8O1201 1.4 41.2 1.0
FAC A:H8O1201 2.2 43.5 1.0
FAD A:H8O1201 2.2 41.1 1.0
CAR A:H8O1201 2.4 31.9 1.0
NAP A:H8O1201 2.7 30.7 1.0
CD1 A:ILE544 3.5 47.6 1.0
CG A:GLU530 3.6 26.1 0.5
CAK A:H8O1201 3.6 30.5 1.0
CG1 A:ILE544 3.8 43.1 1.0
OE2 A:GLU530 3.9 32.9 0.5
CD A:GLU530 4.0 33.9 0.5
CAV A:H8O1201 4.0 34.6 1.0
CE1 A:PHE545 4.1 35.7 1.0
CG A:GLU530 4.1 25.1 0.5
CZ A:PHE545 4.2 27.4 1.0
OE1 A:GLU530 4.2 31.9 0.5
FAE A:H8O1201 4.2 33.7 1.0
FAG A:H8O1201 4.2 33.0 1.0
CD1 A:PHE545 4.2 38.1 1.0
CD A:GLU530 4.4 30.2 0.5
CE2 A:PHE545 4.5 29.5 1.0
CB A:GLU530 4.5 24.9 0.5
CB A:GLU530 4.5 24.8 0.5
CG A:PHE545 4.5 29.1 1.0
CAZ A:H8O1201 4.6 38.9 1.0
CD2 A:PHE545 4.7 29.1 1.0
CB A:ILE544 4.7 39.4 1.0
CAS A:H8O1201 4.7 30.9 1.0
CAT A:H8O1201 4.8 30.5 1.0
N A:PHE545 4.8 37.5 1.0
OE1 A:GLU530 4.9 35.8 0.5
CD2 A:LEU514 4.9 31.4 1.0
CAU A:H8O1201 4.9 30.7 1.0
CA A:PHE545 5.0 30.8 1.0
C A:ILE544 5.0 39.2 1.0

Fluorine binding site 7 out of 12 in 7dia

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Fluorine binding site 7 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1204

b:39.9
occ:1.00
FAE A:YMZ1204 0.0 39.9 1.0
CAZ A:YMZ1204 1.4 34.6 1.0
FAF A:YMZ1204 2.2 34.8 1.0
FAG A:YMZ1204 2.2 39.7 1.0
CAT A:YMZ1204 2.4 35.0 1.0
NAP A:YMZ1204 3.0 41.0 1.0
CAV A:YMZ1204 3.0 39.6 1.0
CE2 A:TYR868 3.3 35.6 1.0
CAI A:YMZ1204 3.4 36.5 1.0
CD2 A:TYR868 3.4 29.5 1.0
CB A:ALA1066 3.4 18.8 1.0
CZ A:TYR868 4.1 31.7 1.0
CAR A:YMZ1204 4.2 46.0 1.0
CG A:TYR868 4.3 24.5 1.0
CAU A:YMZ1204 4.3 40.5 1.0
CAH A:YMZ1204 4.6 38.6 1.0
FAD A:YMZ1204 4.6 45.7 1.0
OH A:TYR868 4.7 46.6 1.0
CA A:GLY1050 4.8 22.0 1.0
FAB A:YMZ1204 4.8 50.1 1.0
CAY A:YMZ1204 4.8 44.9 1.0
CA A:ALA1066 4.9 18.9 1.0
CE1 A:TYR868 4.9 29.8 1.0
C A:GLY1050 4.9 18.9 1.0
CAJ A:YMZ1204 4.9 42.0 1.0
CD1 A:TYR868 5.0 26.3 1.0

Fluorine binding site 8 out of 12 in 7dia

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Fluorine binding site 8 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1204

b:34.8
occ:1.00
FAF A:YMZ1204 0.0 34.8 1.0
CAZ A:YMZ1204 1.4 34.6 1.0
FAG A:YMZ1204 2.2 39.7 1.0
FAE A:YMZ1204 2.2 39.9 1.0
CAT A:YMZ1204 2.4 35.0 1.0
CAI A:YMZ1204 2.7 36.5 1.0
N A:VAL1051 3.1 17.8 1.0
C A:GLY1050 3.3 18.9 1.0
C A:VAL1051 3.5 20.3 1.0
CA A:VAL1051 3.5 16.6 1.0
O A:VAL1051 3.6 20.2 1.0
CA A:GLY1050 3.7 22.0 1.0
CAV A:YMZ1204 3.7 39.6 1.0
CB A:ALA1066 3.7 18.8 1.0
O A:GLY1050 3.8 16.9 1.0
N A:PHE1052 4.0 18.5 1.0
CB A:PHE1052 4.0 18.0 1.0
CAH A:YMZ1204 4.1 38.6 1.0
O2 A:EDO1206 4.1 36.3 1.0
NAP A:YMZ1204 4.2 41.0 1.0
O A:LEU1064 4.5 18.8 1.0
N A:ALA1066 4.5 17.5 1.0
CA A:PHE1052 4.5 18.8 1.0
N A:GLY1050 4.8 20.6 1.0
CA A:ALA1066 4.8 18.9 1.0
CAU A:YMZ1204 4.8 40.5 1.0
C2 A:EDO1206 4.9 37.9 1.0
CAJ A:YMZ1204 4.9 42.0 1.0
C A:SER1065 5.0 17.1 1.0

Fluorine binding site 9 out of 12 in 7dia

Go back to Fluorine Binding Sites List in 7dia
Fluorine binding site 9 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1204

b:39.7
occ:1.00
FAG A:YMZ1204 0.0 39.7 1.0
CAZ A:YMZ1204 1.4 34.6 1.0
FAF A:YMZ1204 2.2 34.8 1.0
FAE A:YMZ1204 2.2 39.9 1.0
CAT A:YMZ1204 2.4 35.0 1.0
NAP A:YMZ1204 2.8 41.0 1.0
CAV A:YMZ1204 3.0 39.6 1.0
CD2 A:LEU1064 3.3 17.0 1.0
CAI A:YMZ1204 3.5 36.5 1.0
CD2 A:TYR868 3.7 29.5 1.0
CB A:PHE1052 3.8 18.0 1.0
CG A:LEU1064 3.9 16.7 1.0
CAR A:YMZ1204 4.0 46.0 1.0
CB A:ALA1066 4.1 18.8 1.0
FAB A:YMZ1204 4.1 50.1 1.0
CAU A:YMZ1204 4.3 40.5 1.0
CE2 A:TYR868 4.4 35.6 1.0
CG A:TYR868 4.4 24.5 1.0
CB A:TYR868 4.5 21.8 1.0
CAY A:YMZ1204 4.6 44.9 1.0
CAH A:YMZ1204 4.6 38.6 1.0
CE A:MET872 4.6 36.3 1.0
CB A:LEU1064 4.7 16.1 1.0
CG A:PHE1052 4.7 25.9 1.0
O A:LEU1064 4.7 18.8 1.0
N A:PHE1052 4.8 18.5 1.0
C A:VAL1051 4.9 20.3 1.0
CA A:PHE1052 4.9 18.8 1.0
FAD A:YMZ1204 5.0 45.7 1.0
CAJ A:YMZ1204 5.0 42.0 1.0

Fluorine binding site 10 out of 12 in 7dia

Go back to Fluorine Binding Sites List in 7dia
Fluorine binding site 10 out of 12 in the Falcilysin in Complex with Mefloquine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Falcilysin in Complex with Mefloquine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1204

b:51.2
occ:1.00
FAC A:YMZ1204 0.0 51.2 1.0
CAY A:YMZ1204 1.4 44.9 1.0
FAB A:YMZ1204 2.2 50.1 1.0
FAD A:YMZ1204 2.2 45.7 1.0
CAR A:YMZ1204 2.4 46.0 1.0
CAK A:YMZ1204 2.7 46.0 1.0
NAP A:YMZ1204 3.6 41.0 1.0
O A:HOH1798 3.7 45.6 1.0
CAS A:YMZ1204 4.0 47.3 1.0
CE A:MET872 4.2 36.3 1.0
CB A:ALA869 4.2 20.5 1.0
CA A:ALA869 4.3 20.3 1.0
CAV A:YMZ1204 4.7 39.6 1.0
CAU A:YMZ1204 4.9 40.5 1.0
O A:ALA869 4.9 21.5 1.0
CAW A:YMZ1204 5.0 54.3 1.0
NAQ A:YMZ1204 5.0 60.6 1.0

Reference:

J.Q.Lin, J.Q.Lin, A.El Sahili, J.Lescar. N/A N/A.
Page generated: Fri Dec 17 09:11:06 2021

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