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Chlorine in PDB 8je6: Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue

Protein crystallography data

The structure of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue, PDB code: 8je6 was solved by R.Goswami, Y.Manickam, S.Gupta, J.Chhibber-Goel, K.Harlos, A.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.07 / 2.88
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 80.978, 69.798, 106.839, 90, 105.39, 90
R / Rfree (%) 19.8 / 27.9

Other elements in 8je6:

The structure of Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue (pdb code 8je6). 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 Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue, PDB code: 8je6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8je6

Go back to Chlorine Binding Sites List in 8je6
Chlorine binding site 1 out of 2 in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue


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 Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1802

b:47.1
occ:0.91
CL1 A:HFG1802 0.0 47.1 0.9
C6 A:HFG1802 1.7 53.0 0.9
C7 A:HFG1802 2.7 64.5 0.9
C5 A:HFG1802 2.7 41.2 0.9
BR1 A:HFG1802 3.1 72.9 0.9
CG A:PRO1327 3.8 30.2 1.0
CD1 A:LEU1294 3.9 39.2 1.0
C8 A:HFG1802 4.0 62.5 0.9
C10 A:HFG1802 4.0 40.4 0.9
CB A:PHE1304 4.2 83.2 1.0
CD1 A:PHE1304 4.3 85.6 1.0
CB A:PRO1327 4.4 50.3 1.0
C9 A:HFG1802 4.5 53.0 0.9
CG2 A:VAL1308 4.5 46.3 1.0
CG A:PHE1304 4.7 84.8 1.0
CG A:LEU1294 4.9 41.6 1.0

Chlorine binding site 2 out of 2 in 8je6

Go back to Chlorine Binding Sites List in 8je6
Chlorine binding site 2 out of 2 in the Crystal Structure of Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue


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 Anopheles Culicifacies Prolyl-Trna Synthetase (Acprs) in Complex with Halofuginone and Atp Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1802

b:53.2
occ:0.85
CL1 B:HFG1802 0.0 53.2 0.8
C6 B:HFG1802 1.7 43.4 0.8
C5 B:HFG1802 2.7 40.8 0.8
C7 B:HFG1802 2.7 44.0 0.8
BR1 B:HFG1802 3.2 56.2 0.8
CG B:PRO1327 3.8 44.1 1.0
C10 B:HFG1802 4.0 32.7 0.8
C8 B:HFG1802 4.0 38.4 0.8
CG2 B:VAL1308 4.2 47.9 1.0
CD1 B:LEU1294 4.3 48.1 1.0
CB B:PRO1327 4.4 44.3 1.0
CD2 B:PHE1304 4.4 43.7 1.0
CB B:PHE1304 4.4 74.1 1.0
C9 B:HFG1802 4.5 32.7 0.8
CG B:PHE1304 4.8 63.2 1.0
CG B:LEU1294 4.8 53.1 1.0
CD2 B:LEU1294 5.0 52.7 1.0

Reference:

R.Goswami, J.Chhibber-Goel, Y.Manickam, S.Gupta, K.Harlos, B.Laleu, A.Sharma. Targeting Prolyl-Trna Synthetase of Anopheles Culicifacies For the Development of New Larvicide To Be Published.
Page generated: Sun Jul 13 12:37:45 2025

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