7C7B

Crystal structure of human TRAP1 with SJT009

Summary for 7C7B

Entry DOI	10.2210/pdb7c7b/pdb
Descriptor	Heat shock protein 75 kDa, mitochondrial, 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol (3 entities in total)
Functional Keywords	trap1, selectivity, mitochondria, hsp90, anticancer, drug, chaperone
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	26178.46
Authors	Kim, D.,Yang, S.,Yoon, N.G.,Park, E.,Kim, S.Y.,Kang, B.H.,Lee, C.,Kang, S. (deposition date: 2020-05-24, release date: 2021-05-26, Last modification date: 2023-11-29)
Primary citation	Yang, S.,Yoon, N.G.,Kim, D.,Park, E.,Kim, S.Y.,Lee, J.H.,Lee, C.,Kang, B.H.,Kang, S. Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity. Acs Med.Chem.Lett., 12:1173-1180, 2021 Cited by PubMed: 34267888 DOI: 10.1021/acsmedchemlett.1c00213 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation