Chlorine in PDB 4h5v: HSC70 Nbd with Mg

The structure of HSC70 Nbd with Mg, PDB code: 4h5v was solved by B.Stec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.08 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	76.741, 102.175, 54.524, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.5

The structure of HSC70 Nbd with Mg also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the HSC70 Nbd with Mg (pdb code 4h5v). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the HSC70 Nbd with Mg, PDB code: 4h5v:

Chlorine binding site 1 out of 1 in the HSC70 Nbd with Mg


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSC70 Nbd with Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:45.3 occ:1.00 O A:HOH505 2.1 26.3 1.0 OG1 A:THR14 2.9 29.1 1.0 O A:HOH534 3.1 30.2 1.0 N A:THR14 3.3 23.5 1.0 N A:TYR15 3.6 23.7 1.0 CB A:THR14 3.9 25.1 1.0 N A:GLY202 3.9 26.7 1.0 N A:THR13 3.9 22.5 1.0 CA A:THR14 3.9 24.6 1.0 O A:HOH636 4.0 29.0 1.0 O3 A:SO4401 4.2 24.5 1.0 MG A:MG402 4.2 28.8 1.0 O A:TYR15 4.2 24.0 1.0 O2 A:SO4401 4.3 26.3 1.0 C A:THR14 4.3 23.6 1.0 CG2 A:THR14 4.3 24.0 1.0 C A:THR13 4.4 23.2 1.0 C A:GLY12 4.4 23.0 1.0 CA A:GLY12 4.4 20.7 1.0 S A:SO4401 4.5 28.0 1.0 CA A:THR13 4.5 21.2 1.0 CB A:THR13 4.5 22.7 1.0 O4 A:SO4401 4.6 25.6 1.0 CA A:TYR15 4.6 23.1 1.0 O A:HOH678 4.6 45.0 1.0 CB A:TYR15 4.6 29.1 1.0 O A:HOH503 4.7 26.0 1.0 CA A:GLY202 4.7 23.9 1.0 CA A:GLY201 4.7 26.9 1.0 C A:GLY201 4.8 26.6 1.0 O A:HOH504 4.8 28.0 1.0 C A:TYR15 4.9 21.6 1.0 N A:GLY203 4.9 22.4 1.0

Z.Ziming, J.Cellitti, P.Teriete, M.Pellecchia, B.Stec. New Crystal Structures of Hsc-70 Atp Binding Domain Confirm the Role of Individual Binding Pockets and Suggests A New Method of Inhibition To Be Published.