Chlorine in PDB 7ooh: Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023818

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023818, PDB code: 7ooh 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)	72.97 / 2.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.979, 102.575, 103.829, 90, 90, 90
R / Rfree (%)	22.1 / 23.6

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023818 also contains other interesting chemical elements:

Iodine

(I)

5 atoms

The binding sites of Chlorine atom in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023818 (pdb code 7ooh). 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 Ncl-00023818, PDB code: 7ooh:
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 Ncl-00023818


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 Ncl-00023818 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:115.0 occ:1.00 NH1 A:ARG51 3.3 82.3 1.0 CE2 A:TYR164 3.7 74.5 1.0 CZ A:TYR164 3.8 76.1 1.0 NH2 A:ARG51 3.8 82.4 1.0 O A:TYR164 3.9 74.1 1.0 OH A:TYR164 4.0 79.0 1.0 CZ A:ARG51 4.1 82.0 1.0 CD2 A:TYR164 4.3 73.3 1.0 CE1 A:TYR164 4.3 74.8 1.0 CD2 A:LEU165 4.5 75.6 1.0 CA A:LEU165 4.7 74.5 1.0 C A:TYR164 4.7 73.9 1.0 CG A:TYR164 4.8 72.6 1.0 CD1 A:TYR164 4.8 73.6 1.0

Chlorine binding site 2 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023818


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 Ncl-00023818 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:86.2 occ:1.00 N A:ALA35 3.5 72.8 1.0 O A:ALA35 3.6 64.2 1.0 O A:CYS50 3.8 67.2 1.0 O A:GLU33 4.1 89.7 1.0 CB A:ALA35 4.2 67.2 1.0 CA A:ALA35 4.2 68.2 1.0 C A:ALA35 4.3 64.5 1.0 CA A:ALA409 4.4 62.7 1.0 CA A:VAL34 4.4 83.3 1.0 O A:HOH1129 4.4 49.7 1.0 C A:VAL34 4.4 77.6 1.0 CB A:ALA409 4.5 61.8 1.0 CB A:SER412 4.7 75.7 1.0 CG1 A:ILE49 4.8 60.3 1.0 OG A:SER412 4.8 77.6 1.0 CD1 A:ILE49 4.9 61.9 1.0 C A:CYS50 5.0 66.3 1.0 N A:ALA409 5.0 61.7 1.0

N.Mohamad, A.O'donoghue, A.L.Kantsadi, I.Vakonakis. Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023818 To Be Published.