Chlorine in PDB 6h54: Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008

The structure of Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008, PDB code: 6h54 was solved by C.Grimm, C.Sotriffer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.77 / 2.02
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.190, 49.340, 86.960, 90.00, 99.80, 90.00
R / Rfree (%)	22 / 25.3

The binding sites of Chlorine atom in the Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008 (pdb code 6h54). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008, PDB code: 6h54:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:48.3 occ:1.00 CL20 A:3FD603 0.0 48.3 1.0 C16 A:3FD603 1.8 45.6 1.0 C15 A:3FD603 2.7 44.0 1.0 C17 A:3FD603 2.8 45.1 1.0 CL21 A:3FD603 3.1 59.9 1.0 NH1 A:ARG272 3.5 37.4 1.0 N38 A:3FD603 3.6 47.8 1.0 C37 A:3FD603 3.9 55.3 1.0 C14 A:3FD603 4.0 40.6 1.0 C18 A:3FD603 4.0 41.9 1.0 CZ A:ARG272 4.1 40.9 1.0 NH2 A:ARG272 4.3 42.3 1.0 C13 A:3FD603 4.5 40.5 1.0 C34 A:3FD603 4.7 45.1 1.0 O A:HOH794 4.9 36.9 1.0 NE A:ARG272 5.0 35.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:59.9 occ:1.00 CL21 A:3FD603 0.0 59.9 1.0 C15 A:3FD603 1.8 44.0 1.0 C14 A:3FD603 2.7 40.6 1.0 C16 A:3FD603 2.8 45.6 1.0 CL20 A:3FD603 3.1 48.3 1.0 CZ A:ARG272 3.5 40.9 1.0 NH2 A:ARG272 3.6 42.3 1.0 C35 A:3FD603 3.7 46.1 1.0 NE A:ARG272 3.7 35.4 1.0 NH1 A:ARG272 3.9 37.4 1.0 OE1 A:GLU268 4.0 37.7 1.0 C13 A:3FD603 4.0 40.5 1.0 C17 A:3FD603 4.1 45.1 1.0 C34 A:3FD603 4.1 45.1 1.0 C36 A:3FD603 4.3 45.3 1.0 C37 A:3FD603 4.3 55.3 1.0 CD A:ARG272 4.3 37.4 1.0 OE2 A:GLU268 4.4 36.5 1.0 C18 A:3FD603 4.6 41.9 1.0 CD A:GLU268 4.6 37.3 1.0 O A:HOH774 4.6 48.3 1.0 N38 A:3FD603 4.7 47.8 1.0

C.Grimm, C.Sotriffer. Crystal Structure of Bovine HSC70(AA1-554)E213A/D214A in Complex with Inhibitor VER155008 To Be Published.