Chlorine in PDB 8d24: Crystal Structure of Plasmodium Falciparum GRP78-Nbd in Complex with VER155008

The structure of Crystal Structure of Plasmodium Falciparum GRP78-Nbd in Complex with VER155008, PDB code: 8d24 was solved by A.Mrozek, H.W.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.81 / 1.75
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.997, 83.997, 292.603, 90, 90, 120
R / Rfree (%)	20.1 / 21.7

The binding sites of Chlorine atom in the Crystal Structure of Plasmodium Falciparum GRP78-Nbd in Complex with VER155008 (pdb code 8d24). 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 Plasmodium Falciparum GRP78-Nbd in Complex with VER155008, PDB code: 8d24:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum GRP78-Nbd in Complex with VER155008


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-Nbd in Complex with VER155008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:67.6 occ:1.00 CL20 A:3FD501 0.0 67.6 1.0 C16 A:3FD501 1.7 66.7 1.0 C15 A:3FD501 2.7 59.2 1.0 C17 A:3FD501 2.9 62.2 1.0 CL21 A:3FD501 3.1 66.8 1.0 C14 A:3FD501 4.0 56.0 1.0 C18 A:3FD501 4.2 49.5 1.0 CG A:ASN59 4.2 42.1 1.0 CB A:ASN59 4.3 31.5 1.0 OD1 A:ASN59 4.3 40.0 1.0 O A:ILE61 4.4 23.6 1.0 CB A:ILE61 4.5 30.8 1.0 C32 A:3FD501 4.5 67.9 1.0 C13 A:3FD501 4.5 49.7 1.0 ND2 A:ASN59 4.7 38.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum GRP78-Nbd in Complex with VER155008


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 Plasmodium Falciparum GRP78-Nbd in Complex with VER155008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:66.8 occ:1.00 CL21 A:3FD501 0.0 66.8 1.0 C15 A:3FD501 1.8 59.2 1.0 C14 A:3FD501 2.8 56.0 1.0 C16 A:3FD501 2.8 66.7 1.0 CL20 A:3FD501 3.1 67.6 1.0 CG1 A:ILE61 3.5 35.0 1.0 CB A:ILE61 3.9 30.8 1.0 N A:ILE61 4.0 22.0 1.0 OD2 A:ASP388 4.1 31.0 0.5 C13 A:3FD501 4.1 49.7 1.0 C17 A:3FD501 4.2 62.2 1.0 N A:ARG60 4.3 26.9 1.0 CA A:ILE61 4.6 25.5 1.0 C A:ARG60 4.7 24.8 1.0 CB A:ARG60 4.7 29.6 1.0 C18 A:3FD501 4.7 49.5 1.0 CD1 A:ILE61 4.8 34.1 1.0 CA A:ARG60 4.8 27.4 1.0

A.Mrozek, H.W.Park. Targeting Plasmodium Falciparum GRP78-Nbd: Nucleoside Analogues As Agents Against the Malaria Chaperone To Be Published.