Chlorine in PDB 7c7b: Crystal Structure of Human TRAP1 with SJT009

The structure of Crystal Structure of Human TRAP1 with SJT009, PDB code: 7c7b was solved by D.Kim, S.Yang, N.G.Yoon, E.Park, S.Y.Kim, B.H.Kang, C.Lee, S.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.10 / 1.50
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	109.597, 109.597, 59.895, 90, 90, 120
R / Rfree (%)	17.3 / 20.6

The structure of Crystal Structure of Human TRAP1 with SJT009 also contains other interesting chemical elements:

Bromine

(Br)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human TRAP1 with SJT009 (pdb code 7c7b). 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 Crystal Structure of Human TRAP1 with SJT009, PDB code: 7c7b:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human TRAP1 with SJT009


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 Human TRAP1 with SJT009 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:35.6 occ:1.00 CL A:FJX301 0.0 35.6 1.0 C18 A:FJX301 1.7 16.7 1.0 N19 A:FJX301 2.7 16.8 1.0 C15 A:FJX301 2.7 17.5 1.0 O A:GLY162 3.0 18.2 1.0 N14 A:FJX301 3.3 18.3 1.0 O A:HOH525 3.3 31.2 1.0 CG2 A:ILE161 3.4 19.1 1.0 O A:HOH430 3.4 16.1 1.0 C A:GLY162 3.5 16.2 1.0 O A:HOH614 3.5 29.3 1.0 N A:GLY162 3.6 14.0 1.0 CB A:ALA123 3.8 15.6 1.0 CA A:GLY162 3.8 16.2 1.0 CG A:MET163 3.8 17.1 1.0 O A:HOH553 3.9 40.4 1.0 C20 A:FJX301 3.9 17.6 1.0 C16 A:FJX301 4.0 16.4 1.0 N A:MET163 4.3 15.2 1.0 C A:ILE161 4.4 17.6 1.0 OG1 A:THR251 4.5 16.5 1.0 N21 A:FJX301 4.5 17.1 1.0 CA A:ALA123 4.5 14.1 1.0 O A:HOH492 4.5 25.2 1.0 C13 A:FJX301 4.6 19.6 1.0 CB A:ILE161 4.7 17.5 1.0 CA A:MET163 4.8 15.0 1.0 SD A:MET163 4.9 18.0 1.0 CA A:ILE161 4.9 16.6 1.0 N A:ILE161 4.9 14.9 1.0 CB A:MET163 4.9 15.9 1.0 N12 A:FJX301 4.9 16.3 1.0

S.Yang, N.G.Yoon, D.Kim, S.Y.Kim, C.Lee, B.H.Kang, S.Kang. Design and Synthesis of TRAP1 Selective Inhibitors: Interacting with ASN171 Residue in TRAP1 to in-Crease Paralog Selectivity To Be Published.