5JCT

Crystal Structure of Human Pirin in complex with a Chemical Probe pyrrolidine 24

Summary for 5JCT

Entry DOI	10.2210/pdb5jct/pdb
Descriptor	Pirin, FE (III) ION, GLYCEROL, ... (6 entities in total)
Functional Keywords	cupin, beta-barrel fold, inhibitor, complex, oxidoreductase
Biological source	Homo sapiens (Human)
Cellular location	Nucleus : O00625
Total number of polymer chains	1
Total formula weight	35185.60
Authors	Ali, S.,van Montfort, R. (deposition date: 2016-04-15, release date: 2017-01-11, Last modification date: 2024-01-10)
Primary citation	Cheeseman, M.D.,Chessum, N.E.,Rye, C.S.,Pasqua, A.E.,Tucker, M.J.,Wilding, B.,Evans, L.E.,Lepri, S.,Richards, M.,Sharp, S.Y.,Ali, S.,Rowlands, M.,O'Fee, L.,Miah, A.,Hayes, A.,Henley, A.T.,Powers, M.,Te Poele, R.,De Billy, E.,Pellegrino, L.,Raynaud, F.,Burke, R.,van Montfort, R.L.,Eccles, S.A.,Workman, P.,Jones, K. Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen. J. Med. Chem., 60:180-201, 2017 Cited by PubMed: 28004573 DOI: 10.1021/acs.jmedchem.6b01055 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.73 Å)

Structure validation