Chlorine in PDB 7oog: Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823, PDB code: 7oog 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)	72.19 / 2.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.997, 101.027, 103.184, 90, 90, 90
R / Rfree (%)	20.9 / 23.4

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823 also contains other interesting chemical elements:

Bromine	(Br)	2 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Chlorine atom in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823 (pdb code 7oog). 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-00023823, PDB code: 7oog:
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-00023823


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-00023823 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl513 b:94.0 occ:1.00 CZ A:TYR164 3.5 81.6 1.0 NH1 A:ARG51 3.5 93.6 1.0 OH A:TYR164 3.6 84.7 1.0 CE2 A:TYR164 3.8 80.0 1.0 NH2 A:ARG51 3.8 93.4 1.0 CE1 A:TYR164 3.9 80.0 1.0 O A:TYR164 4.0 76.5 1.0 CZ A:ARG51 4.1 93.6 1.0 CD2 A:TYR164 4.4 78.8 1.0 CD1 A:TYR164 4.5 78.5 1.0 CG A:TYR164 4.7 77.6 1.0 C A:TYR164 4.9 76.5 1.0

Chlorine binding site 2 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823


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-00023823 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl514 b:86.0 occ:1.00 N A:ALA35 3.4 76.2 1.0 O A:ALA35 3.5 67.2 1.0 O A:CYS50 4.1 69.3 1.0 O A:GLU33 4.1 93.1 1.0 CA A:ALA35 4.1 71.9 1.0 CB A:ALA35 4.2 72.0 1.0 C A:ALA35 4.2 67.2 1.0 CA A:ALA409 4.3 65.1 1.0 O A:HOH618 4.3 53.0 1.0 CA A:VAL34 4.4 85.4 1.0 C A:VAL34 4.4 80.5 1.0 CB A:SER412 4.5 83.2 1.0 CB A:ALA409 4.6 64.2 1.0 OG A:SER412 4.6 86.1 1.0 CG1 A:ILE49 4.8 65.8 1.0 CD1 A:ILE49 4.9 68.7 1.0 N A:ALA409 4.9 64.1 1.0 CG1 A:VAL34 5.0 87.1 1.0 O A:ALA408 5.0 64.0 1.0

N.Mohamad, A.O'donoghue, A.L.Kantsadi, I.Vakonakis. Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823 To Be Published.