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

Protein crystallography data

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

Other elements in 7oog:

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

Chlorine Binding Sites:

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 7oog

Go back to Chlorine Binding Sites List in 7oog
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 7oog

Go back to Chlorine Binding Sites List in 7oog
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

Reference:

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.
Page generated: Sun Jul 13 05:18:46 2025

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