Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T23787 | Target Info | |||
| Target Name | Renal carcinoma antigen NY-REN-56 (PFKFB3) | ||||
| Synonyms | iPFK2; Renal carcinoma antigen NYREN56; PFKFB3; Fructose2,6bisphosphatase; 6phosphofructo2kinase/fructose2,6bisphosphatase 3; 6PF2K/Fru2,6P2ase brain/placentatype isozyme; 6PF2K/Fru2,6P2ase 3 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PFKFB3 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphoenolpyruvate | Ligand Info | |||
| Canonical SMILES | C=C(C(=O)O)OP(=O)(O)O | ||||
| InChI | 1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) | ||||
| InChIKey | DTBNBXWJWCWCIK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1005 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2DWO PFKFB3 in complex with ADP and PEP | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [1] |
| PDB Sequence |
LELTQSRVQK
11 IWVPVDHRPS21 LPRSCGPNSP34 TVIVMVGLPA44 RGKTYISKKL54 TRYLNWIGVP 64 TKVFNVGEYR74 REAVKQYSSY84 NFFRPDNEEA94 MKVRKQCALA104 ALRDVKSYLA 114 KEGGQIAVFD124 ATNTTRERRH134 MILHFAKEND144 FKAFFIESVC154 DDPTVVASNI 164 MEVKISSPDY174 KDCNSAEAMD184 DFMKRISCYE194 ASYQPLDPDK204 CDRDLSLIKV 214 IDVGRRFLVN224 RVQDHIQSRI234 VYYLMNIHVQ244 PRTIYLCRHG254 ENEHNLQGRI 264 GGDSGLSSRG274 KKFASALSKF284 VEEQNLKDLR294 VWTSQLKSTI304 QTAEALRLPY 314 EQWKALNEID324 AGVCEELTYE334 EIRDTYPEEY344 ALREQDKYYY354 RYPTGESYQD 364 LVQRLEPVIM374 ELERQENVLV384 ICHQAVLRCL394 LAYFLDKSAE404 EMPYLKCPLH 414 TVLKLTPVAY424 GCRVESIYLN434 VESVCTHRER444 SNPLMRRNS
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| PDB ID: 3QPW PFKFB3 in complex with Aluminum Tetrafluoride | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [2] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVDHRPSL22 PRSNSPTVIV38 MVGLPARGKT48 YISKKLTRYL58 NWIGVPTKVF 68 NVGEYRREAV78 KQYSSYNFFR88 PDNEEAMKVR98 KQCALAALRD108 VKSYLAKEGG 118 QIAVFDATNT128 TRERRHMILH138 FAKENDFKAF148 FIESVCDDPT158 VVASNIMEVK 168 ISSPDYKDCN178 SAEAMDDFMK188 RISCYEASYQ198 PLDPDKCDRD208 LSLIKVIDVG 218 RRFLVNRVQD228 HIQSRIVYYL238 MNIHVQPRTI248 YLCRHGENEH258 NLQGRIGGDS 268 GLSSRGKKFA278 SALSKFVEEQ288 NLKDLRVWTS298 QLKSTIQTAE308 ALRLPYEQWK 318 ALNEIDAGVC328 EELTYEEIRD338 TYPEEYALRE348 QDKYYYRYPT358 GESYQDLVQR 368 LEPVIMELER378 QENVLVICHQ388 AVLRCLLAYF398 LDKSAEEMPY408 LKCPLHTVLK 418 LTPVAYGCRV428 ESIYLNVESV438 C
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A direct substrate-substrate interaction found in the kinase domain of the bifunctional enzyme, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase. J Mol Biol. 2007 Jun 29;370(1):14-26. | ||||
| REF 2 | Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: transition state and the C-terminal function. Proteins. 2012 Apr;80(4):1143-53. | ||||
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