Chlorine 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:

Fluorine (F) 4 atoms
Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine was determined in the Plasmodium Falciparum Tyrosyl-Trna Synthetase, S234C Mutant, in Complex with ML901-Tyr, PDB code: 7rot:

Chlorine binding site 1 out of 1 in 7rot

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl404

b:59.1
occ:1.00
 N A:GLU149 3.4 45.2 1.0
N A:ASN148 3.4 44.0 1.0
O A:HOH502 3.4 54.6 1.0
C A:LYS146 3.4 46.8 1.0
CB A:ASN148 3.4 46.8 1.0
CA A:LYS146 3.4 47.2 1.0
N A:PRO147 3.8 45.2 1.0
CB A:LYS146 3.8 51.9 1.0
CA A:ASN148 3.8 47.5 1.0
O A:LYS146 3.8 44.6 1.0
CD A:PRO147 4.0 43.9 1.0
C A:ASN148 4.1 47.7 1.0
CB A:GLU149 4.1 50.1 1.0
C A:PRO147 4.3 43.4 1.0
CA A:GLU149 4.4 46.2 1.0
CG A:LYS146 4.5 56.7 1.0
CA A:PRO147 4.7 45.0 1.0
CG A:ASN148 4.7 52.5 1.0
N A:LYS146 4.8 45.2 1.0
CG A:PRO147 4.9 47.1 1.0
O A:LYS145 4.9 46.3 1.0
OD1 A:ASN148 5.0 53.8 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: Tue Jul 30 03:46:52 2024

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