Chlorine in PDB 7nqr: Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z287256168

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z287256168, PDB code: 7nqr was solved by N.Mohamad, A.O'donoghue, A.L.Kantsadi, I.Vakonakis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.33 / 2.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.97, 102.56, 103.71, 90, 90, 90
R / Rfree (%)	21.1 / 23

The binding sites of Chlorine atom in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z287256168 (pdb code 7nqr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z287256168, PDB code: 7nqr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z287256168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z287256168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:107.2 occ:1.00 NH1 A:ARG51 3.4 83.7 1.0 NH2 A:ARG51 3.9 84.6 1.0 CE2 A:TYR164 3.9 71.4 1.0 CZ A:TYR164 4.0 73.4 1.0 O A:TYR164 4.0 70.8 1.0 CZ A:ARG51 4.1 84.5 1.0 OH A:TYR164 4.2 76.9 1.0 CE1 A:TYR164 4.4 71.7 1.0 CD2 A:TYR164 4.5 70.2 1.0 CD2 A:LEU165 4.6 73.5 1.0 CA A:LEU165 4.8 72.7 1.0 C A:TYR164 4.8 70.9 1.0 CD1 A:TYR164 4.9 70.7 1.0 CG A:TYR164 5.0 69.8 1.0

Chlorine binding site 2 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z287256168


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z287256168 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl511 b:93.9 occ:1.00 O A:HOH746 2.8 105.4 1.0 O A:ALA35 3.2 64.3 1.0 N A:ALA35 3.4 74.1 1.0 O A:CYS50 3.8 65.3 1.0 CA A:ALA35 4.1 69.2 1.0 CB A:ALA35 4.1 68.1 1.0 C A:ALA35 4.1 64.8 1.0 O A:HOH632 4.1 53.6 1.0 CA A:ALA409 4.3 60.0 1.0 O A:GLU33 4.3 93.9 1.0 CB A:ALA409 4.4 59.3 1.0 C A:VAL34 4.4 79.7 1.0 CA A:VAL34 4.5 86.1 1.0 CG1 A:ILE49 4.7 59.8 1.0 CB A:SER412 4.7 71.4 1.0 OG A:SER412 4.7 70.0 1.0 N A:ALA409 4.8 58.5 1.0 CD1 A:ILE49 4.9 62.5 1.0 C A:CYS50 5.0 64.8 1.0 O A:ALA408 5.0 59.2 1.0

N.Mohamad, A.O'donoghue, A.L.Kantsadi, I.Vakonakis. Structures of P. Falciparum HSP70-X Nucleotide Binding Domain with Small Molecule Ligands To Be Published.