Brand  (β version)

PDB ID: 5AJX

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Ligands
Code Name Style Show Link
FD9 (2s)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide PoSSuM
PHS Phosphonic acid PoSSuM
PO4 Phosphate ion PoSSuM
F6P 6-O-phosphono-beta-D-fructofuranose PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5AJX   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Human PFKFB3 in complex with an indole inhibitor 3
Release Data : 2015-04-22
Compound :
mol_id molecule chains synonym
1 6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE 3 A 6PF-2-K/FRU-2,6-P2ASE 3,PFK/FBPASE 3,6PF-2-K/FRU-2,6-P2AS E BRAIN/PLACENTA-TYPE ISOZYME, RENAL CARCINOMA ANTIGEN NY-REN-56, IPFK-2, HUMAN PFKFB3
ec: 2.7.1.105, 2.7.1.105, 3.1.3.46
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:511693)
expression_system_strain: BL21
Authors : Boyd, S., Brookfield, J.L., Critchlow, S.E., Cumming, I.A., Curtis, N.J., Debreczeni, J.E., Degorce, S.L., Donald, C., Evans, N.J., Groombridge, S., Hopcroft, P., Jones, N.P., Kettle, J.G., Lamont, S., Lewis, H.J., MacFaull, P., McLoughlin, S.B., Rigoreau, L.J.M., Smith, J.M., St-Gallay, S., Stock, J.K., Wheatley, E.R., Winter, J., Wingfield, J.
Keywords : TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 2.58 Å )
Citation :

Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.

Boyd, S.,Brookfield, J.L.,Critchlow, S.E.  et al.
(2015)  J.Med.Chem.  58 : 3611

PubMed: 25849762
DOI: 10.1021/ACS.JMEDCHEM.5B00352

Reaction

Chain : A
UniProt : Q16875 (F263_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
beta-D-fructose 2,6-bisphosphate + H2O = beta-D-fructose 6- phosphate + phosphate 3.1.3.46 PubMed:16316985, PubMed:17499765, PubMed:22275052
left-to-right PubMed:16316985
ATP + beta-D-fructose 6-phosphate = ADP + beta-D-fructose 2,6- bisphosphate + H(+) 2.7.1.105 PubMed:10077634, PubMed:17499765, PubMed:16316985
left-to-right PubMed:10077634