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Fluorine in PDB 1xe5: Structure of Plasmepsin II in Complex of An Pepstatin Analogue

Enzymatic activity of Structure of Plasmepsin II in Complex of An Pepstatin Analogue

All present enzymatic activity of Structure of Plasmepsin II in Complex of An Pepstatin Analogue:
3.4.23.39;

Protein crystallography data

The structure of Structure of Plasmepsin II in Complex of An Pepstatin Analogue, PDB code: 1xe5 was solved by L.Prade, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 57.00 / 2.40
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 141.650, 141.650, 98.350, 90.00, 90.00, 120.00
R / Rfree (%) 20 / 25.8

Fluorine Binding Sites:

Pages:

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

Binding sites:

The binding sites of Fluorine atom in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue (pdb code 1xe5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue, PDB code: 1xe5:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 1xe5

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Fluorine binding site 1 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:66.3
occ:1.00
 F1 A:5FE500 0.0 66.3 1.0
C13 A:5FE500 1.3 66.0 1.0
F3 A:5FE500 2.2 65.4 1.0
F2 A:5FE500 2.2 66.2 1.0
C12 A:5FE500 2.4 65.5 1.0
N14 A:5FE500 2.8 64.8 1.0
O A:GLY216 3.0 32.6 1.0
C11 A:5FE500 3.1 65.1 1.0
O11 A:5FE500 3.1 62.4 1.0
OD2 A:ASP34 3.6 33.8 1.0
C A:GLY216 3.6 32.5 1.0
CA A:GLY216 3.7 32.2 1.0
CG A:ASP34 3.7 29.8 1.0
OD1 A:ASP34 3.8 32.8 1.0
C15 A:5FE500 4.0 64.8 1.0
C38 A:5FE500 4.2 66.7 1.0
CG2 A:ILE32 4.3 26.6 1.0
CB A:ASP34 4.5 28.2 1.0
O15 A:5FE500 4.5 65.1 1.0
C10 A:5FE500 4.5 65.8 1.0
N A:THR217 4.8 32.7 1.0
CD1 A:ILE32 4.9 26.6 1.0
CD1 A:ILE123 4.9 23.0 1.0
C16 A:5FE500 4.9 64.7 1.0
N A:GLY216 4.9 32.1 1.0

Fluorine binding site 2 out of 12 in 1xe5

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Fluorine binding site 2 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:66.2
occ:1.00
 F2 A:5FE500 0.0 66.2 1.0
C13 A:5FE500 1.3 66.0 1.0
F1 A:5FE500 2.2 66.3 1.0
F3 A:5FE500 2.2 65.4 1.0
C12 A:5FE500 2.3 65.5 1.0
C11 A:5FE500 2.9 65.1 1.0
OD2 A:ASP34 3.1 33.8 1.0
CD1 A:TYR77 3.1 44.0 1.0
CE1 A:TYR77 3.5 43.4 1.0
N14 A:5FE500 3.6 64.8 1.0
O11 A:5FE500 3.7 62.4 1.0
CG A:ASP34 3.8 29.8 1.0
CD1 A:ILE123 3.9 23.0 1.0
CG A:TYR77 4.0 45.0 1.0
C10 A:5FE500 4.1 65.8 1.0
C9 A:5FE500 4.2 66.9 1.0
OD1 A:ASP34 4.3 32.8 1.0
CG2 A:ILE123 4.5 24.6 1.0
CB A:TYR77 4.5 46.1 1.0
CZ A:TYR77 4.5 43.6 1.0
C15 A:5FE500 4.6 64.8 1.0
O15 A:5FE500 4.6 65.1 1.0
OG A:SER37 4.6 28.7 1.0
N8 A:5FE500 4.7 68.6 1.0
O9 A:5FE500 4.7 66.6 1.0
CB A:ASP34 4.8 28.2 1.0
CD2 A:TYR77 4.9 44.1 1.0
CG1 A:ILE123 5.0 23.4 1.0

Fluorine binding site 3 out of 12 in 1xe5

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Fluorine binding site 3 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:65.4
occ:1.00
 F3 A:5FE500 0.0 65.4 1.0
C13 A:5FE500 1.3 66.0 1.0
F1 A:5FE500 2.2 66.3 1.0
F2 A:5FE500 2.2 66.2 1.0
C12 A:5FE500 2.3 65.5 1.0
N14 A:5FE500 2.8 64.8 1.0
O15 A:5FE500 3.2 65.1 1.0
C15 A:5FE500 3.3 64.8 1.0
C38 A:5FE500 3.5 66.7 1.0
C11 A:5FE500 3.7 65.1 1.0
CD1 A:TYR77 4.3 44.0 1.0
O A:GLY216 4.3 32.6 1.0
OG A:SER79 4.4 50.0 1.0
O11 A:5FE500 4.4 62.4 1.0
CB A:TYR77 4.4 46.1 1.0
C16 A:5FE500 4.5 64.7 1.0
CD1 A:ILE123 4.5 23.0 1.0
CG A:TYR77 4.5 45.0 1.0
N17 A:5FE500 4.5 65.4 1.0
CB A:SER79 4.8 49.1 1.0
C10 A:5FE500 4.8 65.8 1.0
C36 A:5FE500 5.0 67.1 1.0

Fluorine binding site 4 out of 12 in 1xe5

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Fluorine binding site 4 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:73.2
occ:1.00
 F4 A:5FE500 0.0 73.2 1.0
C25 A:5FE500 1.3 73.8 1.0
F5 A:5FE500 2.2 74.1 1.0
F6 A:5FE500 2.2 73.9 1.0
C4 A:5FE500 2.3 73.8 1.0
C3 A:5FE500 2.9 75.3 1.0
O3 A:5FE500 3.5 74.2 1.0
N5 A:5FE500 3.6 72.7 1.0
C2 A:5FE500 4.3 76.5 1.0
C6 A:5FE500 4.7 71.3 1.0
O6 A:5FE500 4.9 71.1 1.0

Fluorine binding site 5 out of 12 in 1xe5

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Fluorine binding site 5 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:74.1
occ:1.00
 F5 A:5FE500 0.0 74.1 1.0
C25 A:5FE500 1.3 73.8 1.0
F6 A:5FE500 2.1 73.9 1.0
F4 A:5FE500 2.2 73.2 1.0
C4 A:5FE500 2.3 73.8 1.0
N5 A:5FE500 2.8 72.7 1.0
CG2 A:VAL78 3.4 50.2 1.0
C6 A:5FE500 3.4 71.3 1.0
N A:VAL78 3.5 48.4 1.0
O6 A:5FE500 3.7 71.1 1.0
C3 A:5FE500 3.7 75.3 1.0
O9 A:5FE500 3.8 66.6 1.0
C A:TYR77 3.9 47.3 1.0
CA A:VAL78 4.0 49.3 1.0
O3 A:5FE500 4.3 74.2 1.0
CB A:VAL78 4.3 49.6 1.0
CA A:TYR77 4.4 46.5 1.0
O A:TYR77 4.5 47.0 1.0
C7 A:5FE500 4.6 69.7 1.0
C9 A:5FE500 4.8 66.9 1.0
O A:ASN76 4.8 46.2 1.0
C2 A:5FE500 4.9 76.5 1.0
N A:TYR77 5.0 46.2 1.0

Fluorine binding site 6 out of 12 in 1xe5

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Fluorine binding site 6 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F500

b:73.9
occ:1.00
 F6 A:5FE500 0.0 73.9 1.0
C25 A:5FE500 1.3 73.8 1.0
F5 A:5FE500 2.1 74.1 1.0
F4 A:5FE500 2.2 73.2 1.0
C4 A:5FE500 2.4 73.8 1.0
N5 A:5FE500 2.8 72.7 1.0
O3 A:5FE500 2.8 74.2 1.0
C3 A:5FE500 3.0 75.3 1.0
C A:ASN76 3.6 46.0 1.0
O A:ASN76 3.6 46.2 1.0
C A:TYR77 3.6 47.3 1.0
CB A:ASN76 3.7 46.1 1.0
N A:TYR77 3.7 46.2 1.0
CA A:TYR77 3.8 46.5 1.0
O A:TYR77 3.8 47.0 1.0
N A:VAL78 4.0 48.4 1.0
C6 A:5FE500 4.1 71.3 1.0
CA A:ASN76 4.3 46.0 1.0
C2 A:5FE500 4.5 76.5 1.0
CA A:VAL78 4.7 49.3 1.0
O6 A:5FE500 4.8 71.1 1.0
O9 A:5FE500 4.9 66.6 1.0
C7 A:5FE500 5.0 69.7 1.0

Fluorine binding site 7 out of 12 in 1xe5

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Fluorine binding site 7 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F500

b:37.3
occ:1.00
 F1 B:5FE500 0.0 37.3 1.0
C13 B:5FE500 1.3 36.4 1.0
F3 B:5FE500 2.2 37.4 1.0
F2 B:5FE500 2.2 36.7 1.0
C12 B:5FE500 2.3 35.7 1.0
N14 B:5FE500 2.7 34.1 1.0
C15 B:5FE500 3.3 32.4 1.0
O15 B:5FE500 3.5 32.9 1.0
C38 B:5FE500 3.5 35.1 1.0
C11 B:5FE500 3.7 36.4 1.0
O B:GLY216 3.8 30.3 1.0
CZ B:PHE111 3.9 44.6 1.0
N17 B:5FE500 4.1 31.4 1.0
O11 B:5FE500 4.2 35.3 1.0
C16 B:5FE500 4.3 31.3 1.0
CD1 B:ILE123 4.4 32.4 1.0
CD1 B:TYR77 4.6 38.5 1.0
CG B:TYR77 4.6 39.4 1.0
CE2 B:PHE111 4.6 43.1 1.0
CB B:TYR77 4.6 40.3 1.0
C36 B:5FE500 4.6 34.6 1.0
C10 B:5FE500 4.8 37.7 1.0
CE1 B:PHE111 4.8 45.2 1.0
OD2 B:ASP34 4.8 35.6 1.0
C18 B:5FE500 4.9 31.7 1.0
CD1 B:ILE32 4.9 34.8 1.0
C B:GLY216 4.9 30.0 1.0
CB B:SER79 4.9 38.8 1.0

Fluorine binding site 8 out of 12 in 1xe5

Go back to Fluorine Binding Sites List in 1xe5
Fluorine binding site 8 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F500

b:36.7
occ:1.00
 F2 B:5FE500 0.0 36.7 1.0
C13 B:5FE500 1.3 36.4 1.0
F3 B:5FE500 2.2 37.4 1.0
F1 B:5FE500 2.2 37.3 1.0
C12 B:5FE500 2.3 35.7 1.0
C11 B:5FE500 2.9 36.4 1.0
OD2 B:ASP34 3.1 35.6 1.0
CD1 B:TYR77 3.2 38.5 1.0
CE1 B:TYR77 3.4 37.8 1.0
N14 B:5FE500 3.5 34.1 1.0
CD1 B:ILE123 3.6 32.4 1.0
O11 B:5FE500 3.6 35.3 1.0
CG B:TYR77 3.8 39.4 1.0
CG B:ASP34 4.0 34.7 1.0
CZ B:TYR77 4.0 38.7 1.0
C10 B:5FE500 4.2 37.7 1.0
CG2 B:ILE123 4.3 33.2 1.0
CD2 B:TYR77 4.4 38.1 1.0
C9 B:5FE500 4.4 39.3 1.0
CB B:TYR77 4.4 40.3 1.0
OD1 B:ASP34 4.5 34.8 1.0
CE2 B:TYR77 4.5 38.2 1.0
C15 B:5FE500 4.5 32.4 1.0
O15 B:5FE500 4.6 32.9 1.0
CG1 B:ILE123 4.6 32.5 1.0
OG B:SER37 4.7 34.5 1.0
O9 B:5FE500 4.7 39.1 1.0
OH B:TYR77 4.8 38.1 1.0
O B:GLY216 4.9 30.3 1.0
CB B:ASP34 4.9 34.5 1.0
CZ B:PHE111 4.9 44.6 1.0
N8 B:5FE500 4.9 41.2 1.0
CB B:SER37 5.0 35.3 1.0

Fluorine binding site 9 out of 12 in 1xe5

Go back to Fluorine Binding Sites List in 1xe5
Fluorine binding site 9 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F500

b:37.4
occ:1.00
 F3 B:5FE500 0.0 37.4 1.0
C13 B:5FE500 1.3 36.4 1.0
F2 B:5FE500 2.2 36.7 1.0
F1 B:5FE500 2.2 37.3 1.0
C12 B:5FE500 2.3 35.7 1.0
N14 B:5FE500 2.8 34.1 1.0
O11 B:5FE500 2.8 35.3 1.0
O B:GLY216 2.8 30.3 1.0
C11 B:5FE500 2.9 36.4 1.0
OD2 B:ASP34 3.2 35.6 1.0
CG B:ASP34 3.4 34.7 1.0
OD1 B:ASP34 3.5 34.8 1.0
C B:GLY216 3.5 30.0 1.0
CA B:GLY216 3.5 30.0 1.0
C15 B:5FE500 4.0 32.4 1.0
CG2 B:ILE32 4.1 33.4 1.0
CB B:ASP34 4.4 34.5 1.0
C10 B:5FE500 4.4 37.7 1.0
N B:GLY216 4.6 29.9 1.0
O15 B:5FE500 4.6 32.9 1.0
CD1 B:ILE32 4.7 34.8 1.0
N B:THR217 4.7 29.9 1.0
CD1 B:ILE123 4.8 32.4 1.0
C38 B:5FE500 4.8 35.1 1.0
C16 B:5FE500 5.0 31.3 1.0
OD1 B:ASP214 5.0 36.8 1.0

Fluorine binding site 10 out of 12 in 1xe5

Go back to Fluorine Binding Sites List in 1xe5
Fluorine binding site 10 out of 12 in the Structure of Plasmepsin II in Complex of An Pepstatin Analogue


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of Plasmepsin II in Complex of An Pepstatin Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F500

b:46.0
occ:1.00
 F4 B:5FE500 0.0 46.0 1.0
C25 B:5FE500 1.3 46.8 1.0
F5 B:5FE500 2.1 46.1 1.0
F6 B:5FE500 2.2 47.1 1.0
C4 B:5FE500 2.3 47.6 1.0
C3 B:5FE500 2.8 50.0 1.0
O3 B:5FE500 3.3 49.9 1.0
N5 B:5FE500 3.5 45.7 1.0
C2 B:5FE500 4.3 53.2 1.0
O2 B:5FE500 4.3 58.0 1.0
C6 B:5FE500 4.7 43.5 1.0
C1 B:5FE500 4.8 56.3 1.0
O6 B:5FE500 4.9 43.1 1.0

Reference:

L.Prade, L.Prade. N/A N/A.
Page generated: Wed Jul 31 13:17:40 2024

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