Chlorine in PDB 4z1g: Crystal Structure of Human TRAP1 with Biib-021

The structure of Crystal Structure of Human TRAP1 with Biib-021, PDB code: 4z1g was solved by C.Lee, H.K.Park, J.H.Ryu, B.H.Kang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.49 / 3.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.458, 69.458, 252.807, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 28.1

The binding sites of Chlorine atom in the Crystal Structure of Human TRAP1 with Biib-021 (pdb code 4z1g). 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 Biib-021, PDB code: 4z1g:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human TRAP1 with Biib-021


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 Biib-021 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:75.0 occ:0.97 CL6 A:94M601 0.0 75.0 1.0 C6 A:94M601 1.7 43.0 1.0 N1 A:94M601 2.7 44.4 1.0 C5 A:94M601 2.7 47.6 1.0 O A:ILE161 3.2 68.8 1.0 N7 A:94M601 3.3 51.1 1.0 O A:GLY162 3.4 62.5 1.0 CB A:ALA123 3.5 55.9 1.0 CG2 A:ILE161 3.8 49.8 1.0 C2 A:94M601 3.9 48.3 1.0 C A:GLY162 3.9 63.6 1.0 CG A:MET163 3.9 55.6 1.0 C4 A:94M601 4.0 52.3 1.0 C A:ILE161 4.0 63.3 1.0 CA A:GLY162 4.3 64.0 1.0 OG1 A:THR251 4.3 47.4 1.0 N3 A:94M601 4.4 54.8 1.0 CA A:ALA123 4.4 53.8 1.0 N A:GLY162 4.5 48.5 1.0 C8 A:94M601 4.6 52.9 0.4 N A:MET163 4.8 66.9 1.0 SD A:MET163 4.9 59.4 1.0 N9 A:94M601 4.9 51.8 1.0

C.Lee, H.K.Park, H.Jeong, J.Lim, A.J.Lee, K.Y.Cheon, C.S.Kim, A.P.Thomas, B.Bae, N.D.Kim, S.H.Kim, P.G.Suh, J.H.Ryu, B.H.Kang. Development of A Mitochondria-Targeted HSP90 Inhibitor Based on the Crystal Structures of Human TRAP1 J.Am.Chem.Soc. V. 137 4358 2015.
ISSN: ESSN 1520-5126
PubMed: 25785725
DOI: 10.1021/JA511893N