8BBS

Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor

Summary for 8BBS

Entry DOI	10.2210/pdb8bbs/pdb
Descriptor	Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, ... (5 entities in total)
Functional Keywords	akr1c3, aldo-keto reductase, steroid metabolism, bile acid, tetrazole, cancer, oxidoreductase
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	76931.90
Authors	Petri, E.T.,Skerlova, J.,Marinovic, M.,Brynda, J.,Kugler, M.,Skoric, D.,Bekic, S.,Celic, A.S.,Rezacova, P. (deposition date: 2022-10-14, release date: 2023-03-08, Last modification date: 2024-02-07)
Primary citation	Marinovic, M.A.,Bekic, S.S.,Kugler, M.,Brynda, J.,Skerlova, J.,Skoric, D.D.,Rezacova, P.,Petri, E.T.,Celic, A.S. X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. Rsc Med Chem, 14:341-355, 2023 Cited by PubMed: 36846371 DOI: 10.1039/d2md00387b PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation