Iodine in PDB 4z1h: Crystal Structure of Human TRAP1 with Smtin-P01

The structure of Crystal Structure of Human TRAP1 with Smtin-P01, PDB code: 4z1h 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)	34.35 / 2.90
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.336, 69.336, 255.774, 90.00, 90.00, 90.00
R / Rfree (%)	23.6 / 28.5

The binding sites of Iodine atom in the Crystal Structure of Human TRAP1 with Smtin-P01 (pdb code 4z1h). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Human TRAP1 with Smtin-P01, PDB code: 4z1h:

Iodine binding site 1 out of 1 in the Crystal Structure of Human TRAP1 with Smtin-P01


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Human TRAP1 with Smtin-P01 within 5.0Å range: probe atom residue distance (Å) B Occ A:I601 b:0.1 occ:1.00 I1 A:4KP601 0.0 0.1 1.0 C7 A:4KP601 2.1 81.5 1.0 C6 A:4KP601 3.0 86.3 1.0 C8 A:4KP601 3.1 74.5 1.0 O A:GLY202 3.5 59.8 1.0 S1 A:4KP601 3.5 94.5 1.0 C A:GLY202 3.6 70.2 1.0 CB A:ASN171 3.7 0.5 1.0 CA A:GLY202 3.8 73.3 1.0 N A:VAL203 4.2 80.3 1.0 N A:GLY202 4.2 84.3 1.0 C13 A:4KP601 4.3 38.4 1.0 O A:ASN171 4.3 0.2 1.0 C11 A:4KP601 4.4 80.5 1.0 C9 A:4KP601 4.4 69.0 1.0 CG A:ASN171 4.5 0.3 1.0 CA A:ASN171 4.5 0.4 1.0 C18 A:4KP601 4.5 66.6 1.0 CE1 A:TYR206 4.5 77.0 1.0 ND2 A:ASN171 4.6 0.7 1.0 C A:ASN171 4.6 0.0 1.0 CA A:VAL203 4.7 79.4 1.0 C3 A:4KP601 4.8 48.6 1.0 C15 A:4KP601 4.9 38.0 1.0 OH A:TYR206 4.9 74.5 1.0 C10 A:4KP601 4.9 72.2 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