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Chlorine in PDB 4ydq: Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp

Enzymatic activity of Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp

All present enzymatic activity of Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp:
6.1.1.15;

Protein crystallography data

The structure of Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp, PDB code: 4ydq was solved by V.Jain, M.Yogavel, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.82 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 81.026, 88.929, 86.295, 90.00, 96.71, 90.00
R / Rfree (%) 18.4 / 23.2

Other elements in 4ydq:

The structure of Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Bromine (Br) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp (pdb code 4ydq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp, PDB code: 4ydq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4ydq

Go back to Chlorine Binding Sites List in 4ydq
Chlorine binding site 1 out of 2 in the Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp


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 (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl802

b:44.2
occ:0.91
 CL1 A:HFG802 0.0 44.2 0.9
C6 A:HFG802 1.8 36.1 0.9
C7 A:HFG802 2.7 38.0 0.9
C5 A:HFG802 2.8 35.2 0.9
BR1 A:HFG802 3.3 53.2 0.9
CG A:PRO358 3.4 28.2 1.0
O A:HOH994 3.7 32.7 1.0
CB A:PHE335 3.9 46.5 1.0
CD1 A:LEU325 4.0 34.3 1.0
C8 A:HFG802 4.1 29.8 0.9
C10 A:HFG802 4.1 34.5 0.9
CG2 A:VAL339 4.2 31.5 1.0
CB A:PRO358 4.4 26.5 1.0
CD2 A:PHE335 4.5 45.2 1.0
CG A:PHE335 4.5 48.0 1.0
C9 A:HFG802 4.6 36.1 0.9
CD A:PRO358 4.7 29.2 1.0
CG A:LEU325 4.7 33.7 1.0
CD2 A:LEU325 4.9 33.9 1.0

Chlorine binding site 2 out of 2 in 4ydq

Go back to Chlorine Binding Sites List in 4ydq
Chlorine binding site 2 out of 2 in the Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Prolyl-Trna Synthetase (Prs) From Plasmodium Falciparum in Complex with Halofuginone and Amppnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl802

b:43.6
occ:0.88
 CL1 B:HFG802 0.0 43.6 0.9
C6 B:HFG802 1.8 43.8 0.9
C7 B:HFG802 2.7 48.0 0.9
C5 B:HFG802 2.8 38.2 0.9
BR1 B:HFG802 3.2 77.9 0.9
CG B:PRO358 3.5 32.4 1.0
O B:HOH1029 3.9 40.9 1.0
C8 B:HFG802 4.0 38.0 0.9
C10 B:HFG802 4.1 38.7 0.9
CB B:PRO358 4.3 32.6 1.0
CD1 B:LEU325 4.4 37.4 1.0
CG2 B:VAL339 4.4 44.6 1.0
CB B:PHE335 4.4 83.0 1.0
C9 B:HFG802 4.6 37.9 0.9
CD B:PRO358 4.7 34.1 1.0
CG B:LEU325 5.0 44.2 1.0

Reference:

V.Jain, M.Yogavel, Y.Oshima, H.Kikuchi, B.Touquet, M.A.Hakimi, A.Sharma. Structure of Prolyl-Trna Synthetase-Halofuginone Complex Provides Basis For Development of Drugs Against Malaria and Toxoplasmosis Structure V. 23 819 2015.
ISSN: ISSN 0969-2126
PubMed: 25817387
DOI: 10.1016/J.STR.2015.02.011
Page generated: Fri Jul 26 04:02:35 2024

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