Chlorine in PDB 5xik: Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine

Enzymatic activity of Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine

All present enzymatic activity of Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine:
6.1.1.15;

Protein crystallography data

The structure of Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine, PDB code: 5xik was solved by V.Jain, Y.Manickam, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.76 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 76.644, 90.140, 93.201, 89.46, 80.34, 76.07
R / Rfree (%) 18.5 / 24.4

Other elements in 5xik:

The structure of Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine (pdb code 5xik). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine, PDB code: 5xik:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5xik

Go back to Chlorine Binding Sites List in 5xik
Chlorine binding site 1 out of 4 in the Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine


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 Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1005

b:58.9
occ:1.00
 N A:LEU583 3.9 25.7 1.0
O A:HOH1122 4.0 32.3 1.0
CD A:ARG582 4.2 46.9 1.0
CA A:ARG582 4.2 32.2 1.0
CB A:ARG582 4.5 35.6 1.0
CG A:LEU583 4.6 25.8 1.0
C A:ARG582 4.6 27.2 1.0
CB A:LEU583 4.6 25.7 1.0
O A:LYS581 4.6 38.0 1.0
NH1 A:ARG582 4.8 52.3 1.0
CA A:LEU583 4.8 25.2 1.0
CD1 A:LEU583 4.9 24.7 1.0
CG A:ARG582 5.0 40.6 1.0

Chlorine binding site 2 out of 4 in 5xik

Go back to Chlorine Binding Sites List in 5xik
Chlorine binding site 2 out of 4 in the Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine


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 Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1005

b:66.1
occ:1.00
 CD C:ARG582 3.8 56.5 1.0
N C:LEU583 3.8 41.1 1.0
CA C:ARG582 3.9 44.7 1.0
O C:LYS581 4.2 49.1 1.0
CB C:ARG582 4.3 46.3 1.0
C C:ARG582 4.4 41.8 1.0
CG C:LEU583 4.4 37.4 1.0
NH1 C:ARG582 4.6 58.2 1.0
CD1 C:LEU583 4.6 35.8 1.0
CG C:ARG582 4.7 51.4 1.0
CB C:LEU583 4.7 38.8 1.0
CA C:LEU583 4.9 36.6 1.0
NE C:ARG582 4.9 61.3 1.0
N C:ARG582 4.9 44.0 1.0

Chlorine binding site 3 out of 4 in 5xik

Go back to Chlorine Binding Sites List in 5xik
Chlorine binding site 3 out of 4 in the Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1005

b:55.9
occ:1.00
 NE1 D:TRP471 3.0 36.4 1.0
O D:HOH1153 3.2 37.4 1.0
CD2 C:LEU430 3.8 30.5 1.0
CE1 C:TYR425 3.8 35.2 1.0
CD1 D:TRP471 3.9 32.3 1.0
NH1 D:ARG483 4.0 54.6 1.0
CE2 D:TRP471 4.1 32.8 1.0
CZ C:TYR425 4.2 35.5 1.0
CD1 C:TYR425 4.3 34.4 1.0
CD C:PRO431 4.4 40.1 1.0
OH C:TYR425 4.5 39.3 1.0
CZ2 D:TRP471 4.5 33.4 1.0
NH2 D:ARG483 4.6 46.0 1.0
CZ D:ARG483 4.8 50.6 1.0

Chlorine binding site 4 out of 4 in 5xik

Go back to Chlorine Binding Sites List in 5xik
Chlorine binding site 4 out of 4 in the Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Toxoplasma Gondii Prolyl-Trna Synthetase (Tgprs) in Complex with Tetrahydro Quinazolinone Febrifugine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1006

b:57.9
occ:1.00
 N D:LEU583 3.6 39.4 1.0
CA D:ARG582 3.8 49.7 1.0
CD D:ARG582 4.1 60.0 1.0
CB D:ARG582 4.2 52.7 1.0
C D:ARG582 4.3 42.4 1.0
O D:LYS581 4.4 51.5 1.0
CG D:LEU583 4.5 40.2 1.0
CB D:LEU583 4.5 37.8 1.0
CG D:ARG582 4.6 55.3 1.0
CD1 D:LEU583 4.6 36.8 1.0
CA D:LEU583 4.7 37.7 1.0
NH1 D:ARG582 4.7 57.3 1.0
N D:ARG582 5.0 52.4 1.0

Reference:

V.Jain, M.Yogavel, H.Kikuchi, Y.Oshima, N.Hariguchi, M.Matsumoto, P.Goel, B.Touquet, R.S.Jumani, F.Tacchini-Cottier, K.Harlos, C.D.Huston, M.A.Hakimi, A.Sharma. Targeting Prolyl-Trna Synthetase to Accelerate Drug Discovery Against Malaria, Leishmaniasis, Toxoplasmosis, Cryptosporidiosis, and Coccidiosis Structure V. 25 1495 2017.
ISSN: ISSN 1878-4186
PubMed: 28867614
DOI: 10.1016/J.STR.2017.07.015
Page generated: Sat Dec 12 12:39:00 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