Chlorine in PDB 4ncx: Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7

All present enzymatic activity of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7:
6.1.1.15;

The structure of Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7, PDB code: 4ncx was solved by Seattle Structural Genomics Center For Infectious Disease, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.46 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	147.960, 91.380, 110.840, 90.00, 129.48, 90.00
R / Rfree (%)	16.9 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7 (pdb code 4ncx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7, PDB code: 4ncx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7


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 3D7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:27.9 occ:1.00 N A:THR321 3.4 35.4 1.0 N B:PHE393 3.5 29.0 1.0 OG1 A:THR321 3.5 53.3 1.0 C B:PHE393 3.9 32.9 1.0 CA A:VAL320 4.0 26.0 1.0 CA B:PHE393 4.0 30.8 1.0 CE3 B:TRP391 4.0 33.3 1.0 CB B:PHE393 4.0 30.4 1.0 CG2 A:VAL320 4.1 28.1 1.0 CG2 A:THR321 4.1 47.5 1.0 CB B:TRP391 4.1 29.1 1.0 N B:GLU392 4.1 24.2 1.0 C A:VAL320 4.2 30.1 1.0 O B:PHE393 4.2 38.4 1.0 CB A:THR321 4.2 45.5 1.0 N B:LYS394 4.3 34.2 1.0 CA A:THR321 4.4 42.8 1.0 C B:TRP391 4.5 25.5 1.0 CB B:LYS394 4.5 36.9 1.0 C B:GLU392 4.5 30.1 1.0 O A:PHE319 4.6 20.8 1.0 CB A:VAL320 4.7 26.4 1.0 CA B:TRP391 4.7 25.9 1.0 CA B:GLU392 4.7 26.3 1.0 CD2 B:TRP391 4.7 31.9 1.0 CG B:TRP391 4.8 32.2 1.0 CZ3 B:TRP391 4.9 36.5 1.0 CB B:GLU392 4.9 26.9 1.0 CD2 B:PHE393 4.9 30.5 1.0 CG B:PHE393 5.0 30.9 1.0 CA B:LYS394 5.0 38.2 1.0 O B:TRP391 5.0 26.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7


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 (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl806 b:46.5 occ:1.00 O A:HOH1098 2.6 25.3 0.5 O A:HOH1034 2.9 37.3 1.0 O A:HOH1056 3.1 37.2 1.0 CB A:PRO533 3.5 27.6 1.0 OD1 A:ASN534 3.7 34.2 1.0 CE A:LYS539 3.8 28.1 1.0 CD A:LYS539 3.8 27.4 1.0 O A:PRO533 3.9 24.2 1.0 C A:PRO533 3.9 24.8 1.0 NZ A:LYS539 4.0 28.9 1.0 O A:HOH1098 4.0 37.8 0.5 CD1 A:LEU637 4.1 28.6 1.0 N A:ASN534 4.2 25.0 1.0 CA A:PRO533 4.3 24.7 1.0 O A:HOH939 4.4 27.7 1.0 CB A:LEU637 4.4 26.2 1.0 CG A:LYS539 4.5 26.8 1.0 CA A:ASN534 4.6 27.4 1.0 O A:HOH1210 4.7 50.8 1.0 CG A:LEU637 4.7 26.8 1.0 O A:HOH1102 4.7 38.7 1.0 O A:HOH988 4.8 38.8 1.0 CG A:ASN534 4.8 34.4 1.0 CG A:PRO533 4.9 25.8 1.0 CD2 A:LEU637 4.9 26.9 1.0 O A:HOH971 5.0 32.2 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7


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 Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase) From Plasmodium Falciparum 3D7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl803 b:42.5 occ:1.00 N B:PHE454 3.9 33.2 1.0 CE1 B:HIS480 3.9 27.3 1.0 O B:GLU452 4.0 30.6 1.0 CG2 B:THR460 4.2 25.1 1.0 CB B:PHE454 4.3 36.6 1.0 OE1 B:GLN475 4.4 36.2 1.0 C B:LYS453 4.4 32.5 0.5 CA B:PHE454 4.4 35.0 1.0 NE2 B:GLN475 4.4 37.5 1.0 C B:LYS453 4.4 32.5 0.5 CG2 B:THR478 4.5 34.2 1.0 OG1 B:THR460 4.7 27.1 1.0 CE B:LYS448 4.7 36.4 1.0 NE2 B:HIS480 4.7 27.2 1.0 CD B:GLN475 4.7 34.8 1.0 CA B:LYS453 4.8 32.0 0.5 CA B:LYS453 4.8 31.9 0.5 ND1 B:HIS480 4.9 28.2 1.0 CB B:THR460 4.9 26.2 1.0 O B:LYS453 5.0 32.0 0.5

D.M.Dranow, T.E.Edwards, D.Lorimer. Crystal Structure of Prolyl-Trna Synthetase (Prors, Proline--Trna Ligase)From Plasmodium Falciparum 3D7 To Be Published.