6HVJ

Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3

Summary for 6HVJ

Descriptor6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, FRUCTOSE-6-PHOSPHATE, ... (6 entities in total)
Functional Keywordskinase, complex, metabolism, cancer, transferase
Biological sourceHomo sapiens
Total number of polymer chains1
Total molecular weight60668.82
Authors
Banaszak, K.,Pawlik, H.,Bialas, A.,Fabritius, C.H.,Nowak, M. (deposition date: 2018-10-11, release date: 2018-11-14, Last modification date: 2019-01-16)
Primary citation
Boutard, N.,Bialas, A.,Sabiniarz, A.,Guzik, P.,Banaszak, K.,Biela, A.,Bien, M.,Buda, A.,Bugaj, B.,Cieluch, E.,Cierpich, A.,Dudek, L.,Eggenweiler, H.M.,Fogt, J.,Gaik, M.,Gondela, A.,Jakubiec, K.,Jurzak, M.,Kitlinska, A.,Kowalczyk, P.,Kujawa, M.,Kwiecinska, K.,Les, M.,Lindemann, R.,Maciuszek, M.,Mikulski, M.,Niedziejko, P.,Obara, A.,Pawlik, H.,Rzymski, T.,Sieprawska-Lupa, M.,Sowinska, M.,Szeremeta-Spisak, J.,Stachowicz, A.,Tomczyk, M.M.,Wiklik, K.,Wloszczak, L.,Ziemianska, S.,Zarebski, A.,Brzozka, K.,Nowak, M.,Fabritius, C.H.
Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors.
ChemMedChem, 14:169-181, 2019
PubMed: 30378281 (PDB entries with the same primary citation)
DOI: 10.1002/cmdc.201800569
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.28 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2373 0.2% 5.4% 0.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6hvj
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