Chlorine in PDB 5y1k: Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-(3-(2-Chlorobenzyl)Ureido)-N-Hydroxy-4-Methylpentanamide

The structure of Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-(3-(2-Chlorobenzyl)Ureido)-N-Hydroxy-4-Methylpentanamide, PDB code: 5y1k was solved by A.K.Marapaka, Y.Zhang, A.Addlagatta, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.71 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.275, 109.254, 111.884, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.3

The structure of Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-(3-(2-Chlorobenzyl)Ureido)-N-Hydroxy-4-Methylpentanamide also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Zinc	(Zn)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-(3-(2-Chlorobenzyl)Ureido)-N-Hydroxy-4-Methylpentanamide (pdb code 5y1k). 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 Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-(3-(2-Chlorobenzyl)Ureido)-N-Hydroxy-4-Methylpentanamide, PDB code: 5y1k:

Chlorine binding site 1 out of 1 in the Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-(3-(2-Chlorobenzyl)Ureido)-N-Hydroxy-4-Methylpentanamide


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 Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-(3-(2-Chlorobenzyl)Ureido)-N-Hydroxy-4-Methylpentanamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1111 b:0.8 occ:1.00 CL1 A:B1B1111 0.0 0.8 1.0 CG1 A:B1B1111 1.7 83.3 1.0 CD1 A:B1B1111 2.6 85.0 1.0 CB A:B1B1111 2.6 73.8 1.0 O A:HOH1218 2.8 34.7 1.0 N A:ALA320 3.0 20.1 1.0 CA A:B1B1111 3.1 60.0 1.0 O A:GLU319 3.2 23.0 1.0 C A:GLU319 3.5 21.4 1.0 CG A:GLU572 3.5 43.6 1.0 O A:HOH1440 3.5 36.7 1.0 CG2 A:B1B1111 3.9 80.1 1.0 C3 A:B1B1111 3.9 88.8 1.0 CB A:ALA320 4.0 21.5 1.0 CE1 A:TYR575 4.1 21.7 1.0 CA A:ALA320 4.1 21.1 1.0 N A:B1B1111 4.2 55.5 1.0 SD A:MET1034 4.2 57.3 1.0 CB A:GLU572 4.3 39.3 1.0 C4 A:B1B1111 4.3 86.3 1.0 CZ A:TYR575 4.3 20.9 1.0 CE A:MET1034 4.4 48.2 1.0 OE1 A:GLU572 4.4 54.8 1.0 CD1 A:TYR575 4.4 22.0 1.0 CD A:GLU572 4.4 48.1 1.0 CA A:GLU572 4.5 30.5 1.0 OH A:TYR575 4.7 20.3 1.0 CA A:GLU319 4.9 19.9 1.0 CE2 A:TYR575 4.9 19.4 1.0 CG A:GLU319 5.0 19.7 1.0

A.K.Marapaka, A.Addlagatta. Crystal Structure of Plasmodium Falciparum Aminopeptidase N in Complex with (S)-2-(3-(2-Chlorobenzyl)Ureido) -N-Hydroxy-4-Methylpentanamide To Be Published.