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Fluorine in PDB 5v0x: Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114

Enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114

All present enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114, PDB code: 5v0x was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.81 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.200, 118.010, 173.710, 90.00, 90.00, 90.00
R / Rfree (%) 16.3 / 22.1

Other elements in 5v0x:

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 (pdb code 5v0x). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114, PDB code: 5v0x:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 5v0x

Go back to Fluorine Binding Sites List in 5v0x
Fluorine binding site 1 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:19.2
occ:1.00
F17 A:8RD502 0.0 19.2 1.0
C16 A:8RD502 1.3 8.6 1.0
C18 A:8RD502 2.3 12.8 1.0
C15 A:8RD502 2.4 8.7 1.0
CB A:ASN365 3.2 7.2 1.0
N A:ALA366 3.4 13.8 1.0
O A:HOH637 3.4 10.4 1.0
CB A:TYR211 3.4 10.6 1.0
C19 A:8RD502 3.6 11.4 1.0
C14 A:8RD502 3.6 8.2 1.0
C A:ALA366 3.6 12.6 1.0
O A:ALA366 3.7 11.9 1.0
C A:ASN365 3.7 17.1 1.0
CA A:ALA366 3.8 14.8 1.0
CE2 A:TYR334 3.9 14.9 1.0
CD2 A:TYR334 3.9 13.5 1.0
CA A:ASN365 4.0 8.8 1.0
C13 A:8RD502 4.1 12.8 1.0
O A:TYR212 4.1 15.8 1.0
N A:LEU367 4.2 13.8 1.0
O A:HOH745 4.2 16.0 1.0
CG A:ASN365 4.2 17.7 1.0
O A:ASN365 4.3 21.7 1.0
ND2 A:ASN365 4.4 12.2 1.0
CG A:LEU367 4.4 15.9 1.0
CG A:TYR211 4.4 17.0 1.0
CA A:TYR211 4.4 15.3 1.0
CD2 A:LEU367 4.6 8.8 1.0
N A:TYR212 4.6 20.5 1.0
O A:HOH705 4.7 15.6 1.0
O20 A:8RD502 4.7 11.7 1.0
CA A:LEU367 4.9 14.6 1.0
C A:TYR211 5.0 16.8 1.0
CZ A:TYR334 5.0 11.9 1.0

Fluorine binding site 2 out of 3 in 5v0x

Go back to Fluorine Binding Sites List in 5v0x
Fluorine binding site 2 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:17.1
occ:1.00
F17 B:8RD502 0.0 17.1 1.0
C16 B:8RD502 1.4 15.9 1.0
C18 B:8RD502 2.3 13.6 1.0
C15 B:8RD502 2.4 12.9 1.0
CB B:ASN365 3.3 16.3 1.0
N B:ALA366 3.4 14.3 1.0
O B:HOH654 3.4 17.6 1.0
CB B:TYR211 3.5 9.3 1.0
C19 B:8RD502 3.6 15.5 1.0
C14 B:8RD502 3.6 17.7 1.0
O B:ALA366 3.6 18.5 1.0
C B:ALA366 3.7 18.6 1.0
C B:ASN365 3.7 11.7 1.0
CA B:ALA366 3.9 15.4 1.0
CD2 B:TYR334 3.9 9.0 1.0
CE2 B:TYR334 3.9 9.3 1.0
CA B:ASN365 4.0 15.2 1.0
C13 B:8RD502 4.1 14.8 1.0
O B:TYR212 4.1 13.5 1.0
N B:LEU367 4.2 21.7 1.0
O B:ASN365 4.2 8.5 1.0
CG B:ASN365 4.3 18.7 1.0
CG B:LEU367 4.5 10.7 1.0
CA B:TYR211 4.5 9.5 1.0
ND2 B:ASN365 4.5 17.3 1.0
O B:HOH655 4.5 29.8 1.0
CG B:TYR211 4.5 12.3 1.0
CD2 B:LEU367 4.5 8.5 1.0
N B:TYR212 4.6 20.0 1.0
O20 B:8RD502 4.7 21.2 1.0
CA B:LEU367 4.9 15.4 1.0
C B:TYR211 4.9 22.0 1.0
O B:HOH628 5.0 18.1 1.0

Fluorine binding site 3 out of 3 in 5v0x

Go back to Fluorine Binding Sites List in 5v0x
Fluorine binding site 3 out of 3 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F502

b:14.3
occ:1.00
F17 C:8RD502 0.0 14.3 1.0
C16 C:8RD502 1.4 13.4 1.0
C15 C:8RD502 2.3 10.1 1.0
C18 C:8RD502 2.3 8.1 1.0
CB C:ASN365 3.3 18.3 1.0
N C:ALA366 3.3 16.1 1.0
O C:HOH734 3.3 20.1 1.0
C14 C:8RD502 3.6 14.2 1.0
CB C:TYR211 3.6 12.1 1.0
C19 C:8RD502 3.6 14.5 1.0
C C:ALA366 3.6 10.9 1.0
O C:ALA366 3.6 11.8 1.0
C C:ASN365 3.7 19.0 1.0
CA C:ALA366 3.8 12.2 1.0
CA C:ASN365 4.0 15.8 1.0
CD2 C:TYR334 4.0 18.6 1.0
C13 C:8RD502 4.1 15.1 1.0
CE2 C:TYR334 4.1 11.0 1.0
O C:HOH683 4.1 20.0 1.0
N C:LEU367 4.2 9.7 1.0
O C:TYR212 4.2 12.2 1.0
CG C:LEU367 4.3 13.2 1.0
O C:ASN365 4.3 24.4 1.0
CG C:ASN365 4.3 23.7 1.0
CA C:TYR211 4.5 11.9 1.0
CD2 C:LEU367 4.5 8.3 1.0
N C:TYR212 4.5 16.3 1.0
CG C:TYR211 4.6 12.4 1.0
ND2 C:ASN365 4.6 19.5 1.0
O C:HOH707 4.6 24.4 1.0
O20 C:8RD502 4.7 16.1 1.0
CA C:LEU367 4.8 12.3 1.0
C C:TYR211 5.0 15.8 1.0

Reference:

S.J.Mayclin, J.Abendroth, D.D.Lorimer, T.E.Edwards. Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001114 To Be Published.
Page generated: Thu Aug 1 15:55:12 2024

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