Fluorine in PDB 5v0w: Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088

Enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088

All present enzymatic activity of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088:
2.3.1.97;

Protein crystallography data

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088, PDB code: 5v0w 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) 49.58 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.320, 119.130, 176.610, 90.00, 90.00, 90.00
R / Rfree (%) 14.7 / 18.4

Other elements in 5v0w:

The structure of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088 also contains other interesting chemical elements:

Chlorine (Cl) 5 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-0001088 (pdb code 5v0w). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088, PDB code: 5v0w:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 5v0w

Go back to Fluorine Binding Sites List in 5v0w
Fluorine binding site 1 out of 6 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


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-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:11.2
occ:1.00
FAY A:KFK502 0.0 11.2 1.0
CAN A:KFK502 1.4 11.2 1.0
CAO A:KFK502 2.3 8.7 1.0
CAM A:KFK502 2.4 10.0 1.0
FAX A:KFK502 2.7 12.5 1.0
N A:ALA366 3.0 6.4 1.0
C A:ASN365 3.2 10.6 1.0
CB A:ASN365 3.3 7.4 1.0
C A:ALA366 3.3 8.5 1.0
CA A:ALA366 3.3 7.4 1.0
O A:HOH654 3.4 16.0 1.0
O A:ALA366 3.6 8.3 1.0
O A:ASN365 3.6 11.3 1.0
CAP A:KFK502 3.6 6.3 1.0
CAI A:KFK502 3.6 7.8 1.0
N A:LEU367 3.7 5.7 1.0
CA A:ASN365 3.8 6.1 1.0
CD2 A:TYR334 3.9 7.9 1.0
CB A:TYR211 4.0 9.7 1.0
CE2 A:TYR334 4.1 7.8 1.0
CG A:LEU367 4.1 8.2 1.0
CAQ A:KFK502 4.1 7.3 1.0
O A:TYR212 4.5 8.6 1.0
CG A:ASN365 4.5 13.2 1.0
O A:HOH643 4.5 26.5 1.0
CA A:LEU367 4.6 8.3 1.0
CD2 A:LEU367 4.6 7.9 1.0
OAH A:KFK502 4.8 11.7 1.0
CA A:TYR211 4.9 9.1 1.0
O A:HOH835 4.9 8.6 1.0
CB A:ALA366 4.9 8.7 1.0
CG A:TYR334 4.9 6.6 1.0
CB A:LEU367 4.9 6.8 1.0
CD1 A:LEU367 5.0 8.6 1.0

Fluorine binding site 2 out of 6 in 5v0w

Go back to Fluorine Binding Sites List in 5v0w
Fluorine binding site 2 out of 6 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


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-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F502

b:12.5
occ:1.00
FAX A:KFK502 0.0 12.5 1.0
CAM A:KFK502 1.4 10.0 1.0
CAN A:KFK502 2.4 11.2 1.0
CAI A:KFK502 2.4 7.8 1.0
FAY A:KFK502 2.7 11.2 1.0
OAH A:KFK502 2.8 11.7 1.0
CE1 A:HIS213 3.2 11.2 1.0
CB A:TYR211 3.2 9.7 1.0
CB A:ASN365 3.4 7.4 1.0
CAG A:KFK502 3.5 12.5 1.0
ND1 A:HIS213 3.6 8.7 1.0
CAO A:KFK502 3.6 8.7 1.0
CG A:ASN365 3.7 13.2 1.0
CAQ A:KFK502 3.7 7.3 1.0
CG A:TYR211 3.7 10.8 1.0
CD1 A:TYR211 3.9 13.4 1.0
ND2 A:ASN365 4.1 11.8 1.0
OD1 A:ASN365 4.1 9.9 1.0
CAP A:KFK502 4.1 6.3 1.0
CE2 A:TYR334 4.2 7.8 1.0
O A:TYR212 4.2 8.6 1.0
NE2 A:HIS213 4.2 10.2 1.0
CA A:ASN365 4.3 6.1 1.0
CAF A:KFK502 4.4 8.0 1.0
CA A:TYR211 4.5 9.1 1.0
N A:ALA366 4.5 6.4 1.0
N A:TYR212 4.6 8.0 1.0
CD2 A:TYR211 4.7 8.7 1.0
C A:ASN365 4.7 10.6 1.0
C A:TYR211 4.7 7.0 1.0
CD2 A:TYR334 4.7 7.9 1.0
O A:ALA366 4.8 8.3 1.0
CG A:HIS213 4.8 9.3 1.0
CZ A:TYR334 4.9 7.7 1.0
C A:TYR212 4.9 6.9 1.0
OH A:TYR334 4.9 12.2 1.0
CAR A:KFK502 5.0 13.0 1.0
CE1 A:TYR211 5.0 13.2 1.0

Fluorine binding site 3 out of 6 in 5v0w

Go back to Fluorine Binding Sites List in 5v0w
Fluorine binding site 3 out of 6 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


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-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:12.4
occ:1.00
FAY B:KFK502 0.0 12.4 1.0
CAN B:KFK502 1.3 11.2 1.0
CAM B:KFK502 2.3 11.0 1.0
CAO B:KFK502 2.4 9.2 1.0
FAX B:KFK502 2.7 10.0 1.0
N B:ALA366 2.9 8.2 1.0
C B:ASN365 3.2 12.5 1.0
C B:ALA366 3.2 10.5 1.0
CA B:ALA366 3.2 7.0 1.0
CB B:ASN365 3.3 8.2 1.0
O B:HOH700 3.5 21.5 1.0
O B:ALA366 3.5 8.4 1.0
CAI B:KFK502 3.6 10.5 1.0
CAP B:KFK502 3.6 10.2 1.0
O B:ASN365 3.7 11.2 1.0
N B:LEU367 3.7 9.6 1.0
CA B:ASN365 3.8 8.0 1.0
CD2 B:TYR334 4.0 6.9 1.0
CB B:TYR211 4.0 11.1 1.0
CAQ B:KFK502 4.1 8.9 1.0
CE2 B:TYR334 4.2 10.6 1.0
CG B:LEU367 4.2 7.8 1.0
O B:TYR212 4.4 7.7 1.0
O B:HOH693 4.4 22.6 1.0
CG B:ASN365 4.5 12.9 1.0
CA B:LEU367 4.6 8.3 1.0
CD2 B:LEU367 4.6 6.0 1.0
OAH B:KFK502 4.7 12.0 1.0
CB B:ALA366 4.8 6.5 1.0
CA B:TYR211 4.8 11.0 1.0
CG B:TYR334 4.9 7.3 1.0
N B:TYR212 4.9 9.6 1.0
CB B:LEU367 5.0 7.4 1.0
O B:HOH922 5.0 9.3 1.0

Fluorine binding site 4 out of 6 in 5v0w

Go back to Fluorine Binding Sites List in 5v0w
Fluorine binding site 4 out of 6 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F502

b:10.0
occ:1.00
FAX B:KFK502 0.0 10.0 1.0
CAM B:KFK502 1.4 11.0 1.0
CAN B:KFK502 2.4 11.2 1.0
CAI B:KFK502 2.4 10.5 1.0
FAY B:KFK502 2.7 12.4 1.0
OAH B:KFK502 2.7 12.0 1.0
CE1 B:HIS213 3.2 12.0 1.0
CB B:TYR211 3.2 11.1 1.0
CB B:ASN365 3.4 8.2 1.0
CAG B:KFK502 3.5 12.6 1.0
ND1 B:HIS213 3.6 11.3 1.0
CG B:ASN365 3.6 12.9 1.0
CAO B:KFK502 3.6 9.2 1.0
CAQ B:KFK502 3.7 8.9 1.0
CG B:TYR211 3.8 7.5 1.0
ND2 B:ASN365 3.9 16.6 1.0
CD2 B:TYR211 4.0 9.1 1.0
OD1 B:ASN365 4.0 12.8 1.0
CAP B:KFK502 4.1 10.2 1.0
O B:TYR212 4.1 7.7 1.0
CE2 B:TYR334 4.2 10.6 1.0
NE2 B:HIS213 4.3 14.7 1.0
CA B:ASN365 4.3 8.0 1.0
CAF B:KFK502 4.3 11.0 1.0
N B:ALA366 4.5 8.2 1.0
CA B:TYR211 4.5 11.0 1.0
N B:TYR212 4.5 9.6 1.0
C B:ASN365 4.7 12.5 1.0
CD1 B:TYR211 4.7 8.7 1.0
C B:TYR211 4.7 12.7 1.0
O B:ALA366 4.7 8.4 1.0
CD2 B:TYR334 4.8 6.9 1.0
CG B:HIS213 4.8 10.7 1.0
C B:TYR212 4.9 8.0 1.0
CZ B:TYR334 4.9 7.8 1.0
OH B:TYR334 4.9 9.2 1.0
CAR B:KFK502 5.0 11.5 1.0

Fluorine binding site 5 out of 6 in 5v0w

Go back to Fluorine Binding Sites List in 5v0w
Fluorine binding site 5 out of 6 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F502

b:11.7
occ:1.00
FAY C:KFK502 0.0 11.7 1.0
CAN C:KFK502 1.3 9.2 1.0
CAO C:KFK502 2.3 8.0 1.0
CAM C:KFK502 2.4 8.4 1.0
FAX C:KFK502 2.7 10.9 1.0
N C:ALA366 3.1 7.4 1.0
C C:ASN365 3.3 8.6 1.0
CB C:ASN365 3.3 8.3 1.0
C C:ALA366 3.3 6.7 1.0
CA C:ALA366 3.4 6.7 1.0
O C:HOH690 3.4 21.2 1.0
O C:ALA366 3.5 9.3 1.0
CAP C:KFK502 3.6 9.4 1.0
CAI C:KFK502 3.6 8.2 1.0
O C:ASN365 3.6 10.5 1.0
N C:LEU367 3.7 6.7 1.0
CA C:ASN365 3.8 7.2 1.0
CB C:TYR211 4.0 8.5 1.0
CD2 C:TYR334 4.0 9.8 1.0
CG C:LEU367 4.1 7.0 1.0
CAQ C:KFK502 4.1 6.9 1.0
CE2 C:TYR334 4.3 8.9 1.0
O C:HOH676 4.4 16.8 1.0
CD2 C:LEU367 4.4 8.1 1.0
O C:TYR212 4.5 10.6 1.0
CG C:ASN365 4.5 13.4 1.0
CA C:LEU367 4.6 6.5 1.0
OAH C:KFK502 4.7 8.2 1.0
CA C:TYR211 4.8 7.3 1.0
CB C:ALA366 4.9 6.7 1.0
CB C:LEU367 4.9 6.3 1.0
N C:TYR212 4.9 7.8 1.0
O C:HOH872 5.0 9.3 1.0
CG C:TYR334 5.0 6.9 1.0

Fluorine binding site 6 out of 6 in 5v0w

Go back to Fluorine Binding Sites List in 5v0w
Fluorine binding site 6 out of 6 in the Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Glycylpeptide N-Tetradecanoyltransferase From Plasmodium Vivax in Complex with Inhibitor Imp-0001088 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F502

b:10.9
occ:1.00
FAX C:KFK502 0.0 10.9 1.0
CAM C:KFK502 1.4 8.4 1.0
CAN C:KFK502 2.4 9.2 1.0
CAI C:KFK502 2.4 8.2 1.0
FAY C:KFK502 2.7 11.7 1.0
OAH C:KFK502 2.7 8.2 1.0
CE1 C:HIS213 3.1 13.9 1.0
CB C:ASN365 3.3 8.3 1.0
CB C:TYR211 3.3 8.5 1.0
ND1 C:HIS213 3.5 9.3 1.0
CAG C:KFK502 3.5 9.8 1.0
CG C:ASN365 3.6 13.4 1.0
CAO C:KFK502 3.6 8.0 1.0
CAQ C:KFK502 3.6 6.9 1.0
CG C:TYR211 3.8 9.1 1.0
OD1 C:ASN365 4.0 11.3 1.0
CD1 C:TYR211 4.0 9.2 1.0
CAP C:KFK502 4.1 9.4 1.0
ND2 C:ASN365 4.1 15.0 1.0
CE2 C:TYR334 4.2 8.9 1.0
O C:TYR212 4.2 10.6 1.0
NE2 C:HIS213 4.3 12.4 1.0
CA C:ASN365 4.3 7.2 1.0
CAF C:KFK502 4.4 9.8 1.0
N C:ALA366 4.5 7.4 1.0
CA C:TYR211 4.6 7.3 1.0
N C:TYR212 4.6 7.8 1.0
C C:ASN365 4.7 8.6 1.0
CD2 C:TYR211 4.7 13.4 1.0
CD2 C:TYR334 4.7 9.8 1.0
C C:TYR211 4.8 7.7 1.0
CG C:HIS213 4.8 8.4 1.0
O C:ALA366 4.8 9.3 1.0
C C:TYR212 4.9 8.3 1.0
CAR C:KFK502 4.9 10.0 1.0
CZ C:TYR334 5.0 7.5 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-0001088 To Be Published.
Page generated: Sun Dec 13 12:40:10 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy