Fluorine in PDB 7nqs: Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1203107138

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1203107138, PDB code: 7nqs 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)	63.30 / 2.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.88, 102.87, 103.76, 90, 90, 90
R / Rfree (%)	21 / 24.1

The binding sites of Fluorine atom in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1203107138 (pdb code 7nqs). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1203107138, PDB code: 7nqs:

Fluorine binding site 1 out of 1 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1203107138


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1203107138 within 5.0Å range: probe atom residue distance (Å) B Occ B:F504 b:111.7 occ:1.00 F18 B:JH1504 0.0 111.7 1.0 C15 B:JH1504 1.4 111.7 1.0 C14 B:JH1504 2.3 111.7 1.0 C16 B:JH1504 2.3 111.7 1.0 C B:GLY53 2.8 82.1 1.0 O B:GLY53 2.9 83.1 1.0 SG B:CYS50 2.9 75.6 1.0 CA B:GLY53 3.1 80.8 1.0 N B:VAL54 3.3 81.0 1.0 C13 B:JH1504 3.6 111.7 1.0 C17 B:JH1504 3.6 111.7 1.0 CA B:VAL54 4.0 79.6 1.0 N B:GLY53 4.1 79.5 1.0 C12 B:JH1504 4.1 111.7 1.0 C B:VAL54 4.2 78.3 1.0 O B:VAL54 4.4 78.6 1.0 CB B:CYS50 4.6 70.7 1.0 CG2 B:VAL55 4.7 76.4 1.0 N B:VAL55 4.8 76.8 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.