Chlorine in PDB 8d1w: Crystal Structure of Plasmodium Falciparum GRP78 in Complex with (2R, 3R,4S,5R)-2-(6-Amino-8-((2-Chlorobenzyl)Amino)-9H-Purin-9-Yl)-5- (Hydroxymethyl)Tetrahydrofuran-3,4-Diol

The structure of Crystal Structure of Plasmodium Falciparum GRP78 in Complex with (2R, 3R,4S,5R)-2-(6-Amino-8-((2-Chlorobenzyl)Amino)-9H-Purin-9-Yl)-5- (Hydroxymethyl)Tetrahydrofuran-3,4-Diol, PDB code: 8d1w was solved by A.Mrozek, Y.Chen, T.Antoshchenko, H.W.Park, D.Smil, C.A.V.Zepeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.66 / 2.10
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	84.288, 84.288, 292.218, 90, 90, 120
R / Rfree (%)	19 / 22.1

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum GRP78 in Complex with (2R, 3R,4S,5R)-2-(6-Amino-8-((2-Chlorobenzyl)Amino)-9H-Purin-9-Yl)-5- (Hydroxymethyl)Tetrahydrofuran-3,4-Diol (pdb code 8d1w). 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 GRP78 in Complex with (2R, 3R,4S,5R)-2-(6-Amino-8-((2-Chlorobenzyl)Amino)-9H-Purin-9-Yl)-5- (Hydroxymethyl)Tetrahydrofuran-3,4-Diol, PDB code: 8d1w:

Chlorine binding site 1 out of 1 in the Crystal Structure of Plasmodium Falciparum GRP78 in Complex with (2R, 3R,4S,5R)-2-(6-Amino-8-((2-Chlorobenzyl)Amino)-9H-Purin-9-Yl)-5- (Hydroxymethyl)Tetrahydrofuran-3,4-Diol


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 GRP78 in Complex with (2R, 3R,4S,5R)-2-(6-Amino-8-((2-Chlorobenzyl)Amino)-9H-Purin-9-Yl)-5- (Hydroxymethyl)Tetrahydrofuran-3,4-Diol within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:72.9 occ:1.00 CL A:HFY501 0.0 72.9 1.0 C16 A:HFY501 1.7 71.8 1.0 C15 A:HFY501 2.7 80.2 1.0 C11 A:HFY501 2.7 47.9 1.0 C10 A:HFY501 3.1 38.7 1.0 C14 A:HFY501 4.0 66.9 1.0 C12 A:HFY501 4.0 58.0 1.0 OD2 A:ASP388 4.1 50.8 1.0 NH1 A:ARG364 4.4 47.1 1.0 C13 A:HFY501 4.5 61.1 1.0 N5 A:HFY501 4.5 32.5 1.0 CB A:ASP388 4.5 38.4 1.0 CD1 A:ILE61 4.6 48.8 1.0 CG A:ASP388 4.8 41.1 1.0

A.Mrozek, H.W.Park. Targeting Plasmodium Falciparum GRP78: Nucleoside Analogues As Agents Against the Malaria Chaperone Frontiers in Molecular 2022BIOSCIENCE.