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Chlorine in PDB 7nqz: Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1827898537

Protein crystallography data

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1827898537, PDB code: 7nqz 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) 73.29 / 2.32
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.87, 103.226, 104.065, 90, 90, 90
R / Rfree (%) 20.9 / 23.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1827898537 (pdb code 7nqz). 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 Z1827898537, PDB code: 7nqz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7nqz

Go back to Chlorine Binding Sites List in 7nqz
Chlorine binding site 1 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1827898537


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 Z1827898537 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl510

b:103.4
occ:1.00
NH1 A:ARG51 3.2 75.8 1.0
NH2 A:ARG51 3.6 77.2 1.0
CE2 A:TYR164 3.6 67.6 1.0
CZ A:TYR164 3.7 69.5 1.0
CZ A:ARG51 3.8 76.9 1.0
OH A:TYR164 3.9 72.5 1.0
O A:TYR164 4.0 67.3 1.0
CD2 A:TYR164 4.2 66.5 1.0
CE1 A:TYR164 4.3 68.4 1.0
CD2 A:LEU165 4.4 67.5 1.0
CA A:LEU165 4.7 67.9 1.0
CD1 A:TYR164 4.8 67.0 1.0
C A:TYR164 4.8 66.9 1.0
CG A:TYR164 4.8 65.8 1.0

Chlorine binding site 2 out of 2 in 7nqz

Go back to Chlorine Binding Sites List in 7nqz
Chlorine binding site 2 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Z1827898537


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 Z1827898537 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl511

b:90.7
occ:1.00
N A:ALA35 3.1 69.2 1.0
O A:ALA35 3.2 59.1 1.0
CA A:ALA35 3.9 64.5 1.0
CA A:VAL34 3.9 79.3 1.0
C A:ALA35 4.0 59.9 1.0
O A:GLU33 4.0 84.7 1.0
O A:CYS50 4.0 61.3 1.0
C A:VAL34 4.0 74.2 1.0
CB A:ALA35 4.1 63.9 1.0
O A:HOH637 4.2 43.7 1.0
CG1 A:ILE49 4.6 55.8 1.0
CD1 A:ILE49 4.6 57.7 1.0
CA A:ALA409 4.6 57.0 1.0
CG2 A:VAL34 4.7 82.0 1.0
C A:GLU33 4.8 84.5 1.0
CB A:VAL34 4.8 81.2 1.0
N A:VAL34 4.8 81.8 1.0
CB A:ALA409 4.8 56.2 1.0
OG A:SER412 4.9 67.4 1.0
CB A:SER412 4.9 66.6 1.0

Reference:

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.
Page generated: Sun Jul 13 04:33:45 2025

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