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Chlorine in PDB 4wi1: Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506

Enzymatic activity of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506

All present enzymatic activity of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506:
6.1.1.15;

Protein crystallography data

The structure of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506, PDB code: 4wi1 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) 40.29 / 1.65
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 148.180, 91.340, 110.910, 90.00, 129.53, 90.00
R / Rfree (%) 16.2 / 18.8

Other elements in 4wi1:

The structure of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506 also contains other interesting chemical elements:

Fluorine (F) 10 atoms
Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506 (pdb code 4wi1). 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 Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506, PDB code: 4wi1:

Chlorine binding site 1 out of 1 in 4wi1

Go back to Chlorine Binding Sites List in 4wi1
Chlorine binding site 1 out of 1 in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum in Complex with Tcmdc-124506 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl811

b:17.9
occ:1.00
 OG A:SER366 3.1 16.6 1.0
N A:SER366 3.3 16.4 1.0
N A:MET364 3.3 16.5 1.0
O A:HOH927 3.4 20.8 1.0
CB A:SER366 3.5 16.5 1.0
N A:TYR365 3.6 16.1 1.0
CG2 A:ILE363 3.8 14.9 1.0
CA A:ILE363 3.9 14.9 1.0
CA A:SER366 4.0 14.9 1.0
C A:ILE363 4.0 18.9 1.0
C A:MET364 4.1 16.3 1.0
CZ A:PHE490 4.2 16.3 1.0
C A:TYR365 4.3 19.0 1.0
CA A:TYR365 4.3 15.8 1.0
CA A:MET364 4.3 14.7 1.0
CD1 A:ILE363 4.4 29.7 1.0
CB A:ILE363 4.4 15.6 1.0
CB A:TYR365 4.5 16.8 1.0
CE2 A:PHE490 4.5 18.8 1.0
O A:THR362 4.6 21.8 1.0
CE1 A:PHE490 4.7 18.8 1.0
O A:MET364 4.9 16.1 1.0

Reference:

S.Nakazawa Hewitt, D.M.Dranow, B.G.Horst, J.A.Abendroth, B.Forte, I.Hallyburton, C.Jansen, B.Baragana, R.Choi, K.L.Rivas, M.A.Hulverson, M.Dumais, T.E.Edwards, D.D.Lorimer, A.H.Fairlamb, D.W.Gray, K.D.Read, A.M.Lehane, K.Kirk, P.J.Myler, A.Wernimont, C.S.Walpole, R.Stacy, L.K.Barrett, I.H.Gilbert, W.C.Van Voorhis. Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium Falciparum Drug Target, Prolyl-Trna-Synthetase. Acs Infect Dis. 2016.
ISSN: ESSN 2373-8227
PubMed: 27798837
DOI: 10.1021/ACSINFECDIS.6B00078
Page generated: Fri Jul 11 22:32:09 2025

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