Fluorine in PDB 8svm: Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817

Enzymatic activity of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817

All present enzymatic activity of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817:
3.4.11.1;

Protein crystallography data

The structure of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817, PDB code: 8svm was solved by S.Mcgowan, N.Drinkwater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.00 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 174.204, 177.926, 229.762, 90, 90, 90
R / Rfree (%) 20.4 / 25.2

Other elements in 8svm:

The structure of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 also contains other interesting chemical elements:

Zinc (Zn) 24 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Fluorine atom in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 (pdb code 8svm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 36 binding sites of Fluorine where determined in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817, PDB code: 8svm:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 36 in 8svm

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Fluorine binding site 1 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F704

b:55.8
occ:1.00
 FAG A:WRC704 0.0 55.8 1.0
CAU A:WRC704 1.4 51.6 1.0
CAZ A:WRC704 2.4 50.5 1.0
CAN A:WRC704 2.4 47.4 1.0
FAI A:WRC704 2.7 56.7 1.0
CG A:MET392 3.2 31.1 1.0
SD A:MET392 3.2 61.2 0.5
CB A:MET392 3.3 28.2 1.0
O A:GLY390 3.5 25.0 1.0
CAX A:WRC704 3.7 40.9 1.0
CAV A:WRC704 3.7 43.4 1.0
CAO A:WRC704 4.2 40.6 1.0
O A:SER391 4.4 25.4 1.0
C A:SER391 4.4 29.7 1.0
N A:MET392 4.5 30.6 1.0
CA A:MET392 4.5 26.6 1.0
C A:GLY390 4.6 26.9 1.0
CD1 A:LEU492 4.8 24.7 1.0
CAW A:WRC704 4.8 33.7 1.0
FAH A:WRC704 4.8 43.5 1.0
CE A:MET392 4.9 16.6 0.5
CAJ A:WRC704 5.0 28.1 1.0
CA A:SER391 5.0 29.6 1.0

Fluorine binding site 2 out of 36 in 8svm

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Fluorine binding site 2 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F704

b:56.7
occ:1.00
 FAI A:WRC704 0.0 56.7 1.0
CAZ A:WRC704 1.3 50.5 1.0
CAU A:WRC704 2.3 51.6 1.0
CAV A:WRC704 2.4 43.4 1.0
FAG A:WRC704 2.7 55.8 1.0
FAH A:WRC704 2.8 43.5 1.0
CZ A:PHE583 2.9 27.2 1.0
SD A:MET392 3.2 61.2 0.5
CAN A:WRC704 3.6 47.4 1.0
CAO A:WRC704 3.6 40.6 1.0
CE2 A:PHE583 3.6 27.4 1.0
CE1 A:PHE583 3.8 25.7 1.0
CD1 A:LEU492 3.8 24.7 1.0
CAX A:WRC704 4.1 40.9 1.0
O F:HOH1023 4.4 32.9 1.0
CG A:MET392 4.4 31.1 1.0
CE A:MET392 4.5 16.6 0.5
CB A:MET392 4.8 28.2 1.0
CD2 A:PHE583 4.9 25.0 1.0
CD1 A:PHE583 5.0 22.1 1.0

Fluorine binding site 3 out of 36 in 8svm

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Fluorine binding site 3 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F704

b:43.5
occ:1.00
 FAH A:WRC704 0.0 43.5 1.0
CAV A:WRC704 1.4 43.4 1.0
CAO A:WRC704 2.4 40.6 1.0
CAZ A:WRC704 2.4 50.5 1.0
FAI A:WRC704 2.8 56.7 1.0
O A:ALA577 3.1 17.5 1.0
CAX A:WRC704 3.7 40.9 1.0
CAU A:WRC704 3.7 51.6 1.0
CZ A:PHE583 3.7 27.2 1.0
CD1 A:LEU492 3.8 24.7 1.0
CE1 A:PHE583 4.0 25.7 1.0
CAN A:WRC704 4.2 47.4 1.0
CE1 A:PHE398 4.2 38.4 1.0
C A:ALA577 4.3 18.3 1.0
CD2 A:LEU492 4.3 23.3 1.0
CG A:LEU492 4.3 23.1 1.0
CZ A:PHE398 4.4 39.6 1.0
CA A:GLY578 4.6 15.6 1.0
FAG A:WRC704 4.8 55.8 1.0
CAW A:WRC704 4.8 33.7 1.0
CD1 A:LEU395 4.9 40.3 1.0
N A:GLY578 5.0 15.8 1.0
CE2 A:PHE583 5.0 27.4 1.0

Fluorine binding site 4 out of 36 in 8svm

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Fluorine binding site 4 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F704

b:55.2
occ:1.00
 FAG B:WRC704 0.0 55.2 1.0
CAU B:WRC704 1.3 49.9 1.0
CAN B:WRC704 2.4 44.6 1.0
CAZ B:WRC704 2.4 47.4 1.0
FAI B:WRC704 2.7 53.6 1.0
CE B:MET392 3.1 19.6 0.5
CB B:MET392 3.2 25.0 1.0
O B:GLY390 3.4 44.0 1.0
CAX B:WRC704 3.6 37.8 1.0
CAV B:WRC704 3.6 41.6 1.0
O B:SER391 3.7 22.7 1.0
SD B:MET392 3.7 41.2 0.5
C B:SER391 3.8 26.6 1.0
CG B:MET392 3.9 25.4 0.5
N B:MET392 4.0 27.3 1.0
CAO B:WRC704 4.1 40.2 1.0
CA B:MET392 4.2 26.2 1.0
O B:HOH977 4.2 37.8 1.0
C B:GLY390 4.4 38.9 1.0
CA B:SER391 4.4 30.1 1.0
O B:HOH950 4.7 51.4 1.0
FAH B:WRC704 4.7 38.1 1.0
CAW B:WRC704 4.8 32.4 1.0
O B:MET392 4.8 29.6 1.0
N B:SER391 4.8 34.1 1.0
CAJ B:WRC704 4.9 28.9 1.0
C B:MET392 5.0 26.1 1.0
CE B:MET396 5.0 23.4 1.0

Fluorine binding site 5 out of 36 in 8svm

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Fluorine binding site 5 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F704

b:53.6
occ:1.00
 FAI B:WRC704 0.0 53.6 1.0
CAZ B:WRC704 1.3 47.4 1.0
CAU B:WRC704 2.4 49.9 1.0
CAV B:WRC704 2.4 41.6 1.0
FAG B:WRC704 2.7 55.2 1.0
FAH B:WRC704 2.7 38.1 1.0
CZ B:PHE583 3.0 26.3 1.0
CE B:MET392 3.4 19.6 0.5
CAN B:WRC704 3.6 44.6 1.0
CAO B:WRC704 3.6 40.2 1.0
CE2 B:PHE583 3.6 27.9 1.0
SD B:MET392 3.7 41.2 0.5
CE1 B:PHE583 4.0 25.3 1.0
CAX B:WRC704 4.1 37.8 1.0
CD1 B:LEU492 4.1 20.4 1.0
CB B:MET392 4.7 25.0 1.0
CG B:MET392 4.9 25.4 0.5
CD2 B:PHE583 4.9 27.7 1.0

Fluorine binding site 6 out of 36 in 8svm

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Fluorine binding site 6 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F704

b:38.1
occ:1.00
 FAH B:WRC704 0.0 38.1 1.0
CAV B:WRC704 1.4 41.6 1.0
CAZ B:WRC704 2.4 47.4 1.0
CAO B:WRC704 2.4 40.2 1.0
FAI B:WRC704 2.7 53.6 1.0
O B:ALA577 3.3 23.4 1.0
CAU B:WRC704 3.6 49.9 1.0
CD1 B:LEU492 3.7 20.4 1.0
CAX B:WRC704 3.7 37.8 1.0
CZ B:PHE583 3.7 26.3 1.0
CE1 B:PHE583 4.0 25.3 1.0
CAN B:WRC704 4.1 44.6 1.0
CG B:LEU492 4.3 19.6 1.0
CD2 B:LEU492 4.3 18.1 1.0
C B:ALA577 4.4 20.6 1.0
CZ B:PHE398 4.5 33.8 1.0
CE1 B:PHE398 4.6 30.6 1.0
CA B:GLY578 4.7 17.8 1.0
FAG B:WRC704 4.7 55.2 1.0
CAW B:WRC704 4.8 32.4 1.0
CE2 B:PHE583 5.0 27.9 1.0

Fluorine binding site 7 out of 36 in 8svm

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Fluorine binding site 7 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F704

b:58.4
occ:1.00
 FAG C:WRC704 0.0 58.4 1.0
CAU C:WRC704 1.3 53.5 1.0
CAZ C:WRC704 2.4 51.8 1.0
CAN C:WRC704 2.4 50.5 1.0
FAI C:WRC704 2.7 54.0 1.0
CG C:MET392 3.1 38.6 1.0
CB C:MET392 3.4 35.2 1.0
CAX C:WRC704 3.6 45.6 1.0
CAV C:WRC704 3.6 48.9 1.0
O C:GLY390 4.0 36.3 1.0
CAO C:WRC704 4.1 47.8 1.0
CD1 C:LEU492 4.3 31.2 1.0
SD C:MET392 4.5 98.6 1.0
CE C:MET392 4.6 59.6 1.0
O C:SER391 4.6 26.0 1.0
C C:SER391 4.7 30.0 1.0
CA C:MET392 4.7 28.0 1.0
O C:HOH1054 4.7 44.6 1.0
FAH C:WRC704 4.7 48.1 1.0
CAW C:WRC704 4.8 36.6 1.0
N C:MET392 4.8 28.0 1.0
CAJ C:WRC704 4.9 32.0 1.0
C C:GLY390 5.0 34.6 1.0

Fluorine binding site 8 out of 36 in 8svm

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Fluorine binding site 8 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F704

b:54.0
occ:1.00
 FAI C:WRC704 0.0 54.0 1.0
CAZ C:WRC704 1.3 51.8 1.0
CAU C:WRC704 2.3 53.5 1.0
CAV C:WRC704 2.4 48.9 1.0
FAG C:WRC704 2.7 58.4 1.0
FAH C:WRC704 2.7 48.1 1.0
CZ C:PHE583 3.0 23.3 1.0
O C:HOH1054 3.5 44.6 1.0
CE2 C:PHE583 3.5 23.6 1.0
CAN C:WRC704 3.6 50.5 1.0
CAO C:WRC704 3.6 47.8 1.0
CD1 C:LEU492 3.8 31.2 1.0
CE1 C:PHE583 4.0 23.3 1.0
CAX C:WRC704 4.1 45.6 1.0
CG C:MET392 4.4 38.6 1.0
CE C:MET392 4.5 59.6 1.0
CD2 C:PHE583 4.8 22.8 1.0
SD C:MET392 4.8 98.6 1.0
CD2 C:LEU492 4.8 22.6 1.0
CB C:MET392 4.9 35.2 1.0
CG C:LEU492 4.9 24.6 1.0

Fluorine binding site 9 out of 36 in 8svm

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Fluorine binding site 9 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F704

b:48.1
occ:1.00
 FAH C:WRC704 0.0 48.1 1.0
CAV C:WRC704 1.4 48.9 1.0
CAZ C:WRC704 2.4 51.8 1.0
CAO C:WRC704 2.4 47.8 1.0
FAI C:WRC704 2.7 54.0 1.0
O C:ALA577 2.8 22.1 1.0
O C:HOH912 3.2 11.2 1.0
CAU C:WRC704 3.7 53.5 1.0
CAX C:WRC704 3.7 45.6 1.0
CZ C:PHE583 3.7 23.3 1.0
CE1 C:PHE398 3.8 54.5 0.5
CZ C:PHE398 3.9 58.0 0.5
C C:ALA577 4.0 19.2 1.0
CD1 C:LEU492 4.1 31.2 1.0
CAN C:WRC704 4.1 50.5 1.0
CE1 C:PHE583 4.3 23.3 1.0
CD2 C:LEU492 4.4 22.6 1.0
CA C:GLY578 4.5 20.3 1.0
CG C:LEU492 4.6 24.6 1.0
N C:GLY578 4.7 21.0 1.0
CD1 C:PHE398 4.7 50.8 0.5
FAG C:WRC704 4.7 58.4 1.0
CE2 C:PHE583 4.8 23.6 1.0
CAW C:WRC704 4.8 36.6 1.0
O C:GLY578 4.9 24.9 1.0
C C:GLY578 4.9 20.2 1.0
CE2 C:PHE398 4.9 57.3 0.5

Fluorine binding site 10 out of 36 in 8svm

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Fluorine binding site 10 out of 36 in the Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Plasmodium Falciparum M17 Aminopeptidase Bound to MMV1557817 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F704

b:55.8
occ:1.00
 FAG D:WRC704 0.0 55.8 1.0
CAU D:WRC704 1.4 54.0 1.0
CAZ D:WRC704 2.4 53.3 1.0
CAN D:WRC704 2.4 49.7 1.0
FAI D:WRC704 2.7 50.8 1.0
CE D:MET392 3.2 26.3 0.5
O D:GLY390 3.5 34.6 1.0
CAX D:WRC704 3.6 43.8 1.0
CAV D:WRC704 3.7 53.4 1.0
CD1 D:LEU492 4.1 21.9 1.0
CB D:MET392 4.1 33.6 1.0
CAO D:WRC704 4.1 47.6 1.0
SD D:MET392 4.3 51.6 0.5
C D:GLY390 4.7 33.6 1.0
O D:SER391 4.7 27.0 1.0
FAH D:WRC704 4.8 59.4 1.0
CAW D:WRC704 4.8 34.7 1.0
C D:SER391 4.9 29.1 1.0
CG D:MET392 4.9 33.9 0.5
CAJ D:WRC704 5.0 30.9 1.0

Reference:

T.F.De Koning-Ward, N.Drinkwater, R.C.S.Edgar, S.Mcgowan, P.J.Scammells. Characterisation of A Novel Antimalarial Agent Targeting Haemaglobin Digestion That Shows Cross-Species Reactivity and Excellent in Vivo Properties. Mbio 2024.
ISSN: ESSN 2150-7511
Page generated: Sat Aug 3 00:12:45 2024

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