Atomistry » Fluorine » PDB 7re1-7rrz » 7rot
Atomistry »
  Fluorine »
    PDB 7re1-7rrz »
      7rot »

Fluorine in PDB 7rot: Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr

Enzymatic activity of Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr

All present enzymatic activity of Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr:
6.1.1.1;

Protein crystallography data

The structure of Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr, PDB code: 7rot was solved by R.D.Metcalfe, S.C.Xie, C.J.Morton, L.Tilley, M.D.W.Griffin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.74 / 2.20
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 138.188, 47.679, 140.63, 90, 94.46, 90
R / Rfree (%) 20.5 / 23.8

Other elements in 7rot:

The structure of Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr (pdb code 7rot). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr, PDB code: 7rot:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 7rot

Go back to Fluorine Binding Sites List in 7rot
Fluorine binding site 1 out of 4 in the Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:64.9
occ:1.00
 F11 A:66I401 0.0 64.9 1.0
C10 A:66I401 1.3 60.5 1.0
F12 A:66I401 2.1 74.6 1.0
O09 A:66I401 2.3 58.2 1.0
C08 A:66I401 3.2 53.2 1.0
NE2 A:GLN73 3.5 50.2 1.0
N13 A:66I401 3.5 50.7 1.0
CB A:HIS70 3.6 52.2 1.0
CD A:GLN73 3.9 51.9 1.0
CD2 A:HIS70 3.9 58.0 1.0
CG A:HIS70 4.0 53.8 1.0
OE1 A:GLN73 4.1 52.9 1.0
C07 A:66I401 4.5 52.1 1.0
CG A:GLN73 4.7 48.1 1.0
N14 A:66I401 4.8 50.7 1.0
CA A:HIS70 4.9 50.9 1.0
O19 A:66I401 5.0 47.5 1.0

Fluorine binding site 2 out of 4 in 7rot

Go back to Fluorine Binding Sites List in 7rot
Fluorine binding site 2 out of 4 in the Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:74.6
occ:1.00
 F12 A:66I401 0.0 74.6 1.0
C10 A:66I401 1.3 60.5 1.0
F11 A:66I401 2.1 64.9 1.0
O09 A:66I401 2.2 58.2 1.0
C08 A:66I401 3.4 53.2 1.0
N13 A:66I401 4.1 50.7 1.0
CD2 A:HIS70 4.4 58.0 1.0
C07 A:66I401 4.6 52.1 1.0
N01 A:66I401 4.9 51.2 1.0

Fluorine binding site 3 out of 4 in 7rot

Go back to Fluorine Binding Sites List in 7rot
Fluorine binding site 3 out of 4 in the Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F400

b:59.2
occ:1.00
 F11 B:66I400 0.0 59.2 1.0
C10 B:66I400 1.4 60.1 1.0
F12 B:66I400 2.1 66.3 1.0
O09 B:66I400 2.3 55.1 1.0
NE2 B:GLN73 3.0 54.1 1.0
C08 B:66I400 3.1 53.9 1.0
N13 B:66I400 3.4 53.2 1.0
CD B:GLN73 3.9 57.7 1.0
CB B:HIS70 3.9 56.3 1.0
CD2 B:HIS70 4.0 61.8 1.0
CG B:HIS70 4.2 59.0 1.0
C07 B:66I400 4.4 55.6 1.0
OE1 B:GLN73 4.5 58.0 1.0
CG B:GLN73 4.7 52.7 1.0
N14 B:66I400 4.7 54.9 1.0
O19 B:66I400 4.8 53.2 1.0
O35 B:66I400 4.9 50.2 1.0

Fluorine binding site 4 out of 4 in 7rot

Go back to Fluorine Binding Sites List in 7rot
Fluorine binding site 4 out of 4 in the Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F400

b:66.3
occ:1.00
 F12 B:66I400 0.0 66.3 1.0
C10 B:66I400 1.3 60.1 1.0
F11 B:66I400 2.1 59.2 1.0
O09 B:66I400 2.2 55.1 1.0
C08 B:66I400 3.5 53.9 1.0
N13 B:66I400 4.1 53.2 1.0
CD2 B:HIS70 4.4 61.8 1.0
C07 B:66I400 4.7 55.6 1.0
NE2 B:GLN73 4.9 54.1 1.0
N01 B:66I400 5.0 57.0 1.0

Reference:

S.C.Xie, R.D.Metcalfe, E.Dunn, C.J.Morton, S.C.Huang, T.Puhalovich, Y.Du, S.Wittlin, S.Nie, M.R.Luth, L.Ma, M.S.Kim, C.F.A.Pasaje, K.Kumpornsin, C.Giannangelo, F.J.Houghton, A.Churchyard, M.T.Famodimu, D.C.Barry, D.L.Gillett, S.Dey, C.C.Kosasih, W.Newman, J.C.Niles, M.C.S.Lee, J.Baum, S.Ottilie, E.A.Winzeler, D.J.Creek, N.Williamson, M.W.Parker, S.Brand, S.P.Langston, L.R.Dick, M.D.W.Griffin, A.E.Gould, L.Tilley. Reaction Hijacking of Tyrosine Trna Synthetase As A New Whole-of-Life-Cycle Antimalarial Strategy. Science V. 376 1074 2022.
ISSN: ESSN 1095-9203
PubMed: 35653481
DOI: 10.1126/SCIENCE.ABN0611
Page generated: Fri Aug 2 12:19:17 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy