Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T12541 | Target Info | |||
| Target Name | Phosphatidylinositol-4-kinase beta (PI4KB) | ||||
| Synonyms | PtdIns 4-kinase beta; Phosphatidylinositol 4-kinase beta; PIK4CB; PI4Kbeta; PI4K92; PI4K-beta; NPIK | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PI4KB | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Guanosine-5'-Diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N | ||||
| InChI | 1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | ||||
| InChIKey | QGWNDRXFNXRZMB-UUOKFMHZSA-N | ||||
| PubChem Compound ID | 135398619 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5C4G Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with the inhibitor BQR695 in complex with GDP loaded Rab11 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
SWLLRLFESK
137 LFDISMAISY147 LYNSKEPGVQ157 AYIGNRLFCF167 RNEDVDFYLP177 QLLNMYIHMD 187 EDVGDAIKPY197 IVHRCRQSIN207 FSLQCALLLG217 AYSSRGTKLR237 KLILSRLAPE 310 REFIKSLMAI320 GKRLATLPTK330 EQKTQRLISE340 LSLLNHKLPA350 RVWLPTAGFD 360 HHVVRVPHTQ370 AVVLNSKDKA380 PYLIYVEVLE390 CENFDTTSVP400 ARIPEDPSAV 516 ALKEPWQEKV526 RRIREGSPYG536 HLPNWRLLSV546 IVKCGDDLRQ556 ELLAFQVLKQ 566 LQSIWEQERV576 PLWIKPYKIL586 VISADSGMIE596 PVVNAVSIHQ606 VKKQSQLSLL 616 DYFLQEHGSY626 TTEAFLSAQR636 NFVQSCAGYC646 LVCYLLQVKD656 RHNGNILLDA 666 EGHIIHIDFG676 FILSSSPKLT696 TEFVDVMGGL706 DGDMFNYYKM716 LMLQGLIAAR 726 KHMDKVVQIV736 EIMQQGSQLP746 CFHGSSTIRN756 LKERFHMSMT766 EEQLQLLVEQ 776 MVDGSM
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| PDB ID: 5EUQ Crystal structure of an engineered construct of phosphatidylinositol 4 kinase III beta with a potent and selective inhibitor in complex with GDP loaded Rab11 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | Yes | [2] |
| PDB Sequence |
SWLLRLFESK
137 LFDISMAISY147 LYNSKEPGVQ157 AYIGNRLFCF167 RNEDVDFYLP177 QLLNMYIHMD 187 EDVGDAIKPY197 IVHRCRQSIN207 FSLQCALLLG217 AYSSRGTKLR237 KLILSRLAPE 310 REFIKSLMAI320 GKRLATLPTK330 EQKTQRLISE340 LSLLNHKLPA350 RVWLPTAGFD 360 HHVVRVPHTQ370 AVVLNSKDKA380 PYLIYVEVLE390 CENFDTTSVP400 ARIPPSAVAL 518 KEPWQEKVRR528 IREGSPYGHL538 PNWRLLSVIV548 KCGDDLRQEL558 LAFQVLKQLQ 568 SIWEQERVPL578 WIKPYKILVI588 SADSGMIEPV598 VNAVSIHQVK608 KQSQLSLLDY 618 FLQEHGSYTT628 EAFLSAQRNF638 VQSCAGYCLV648 CYLLQVKDRH658 NGNILLDAEG 668 HIIHIDFGFI678 LSSSPKLTTE698 FVDVMGGLDG708 DMFNYYKMLM718 LQGLIAARKH 728 MDKVVQIVEI738 MQQGSQLPCF748 HGSSTIRNLK758 ERFHMSMTEE768 QLQLLVEQMV 778 DGSM
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Using hydrogen deuterium exchange mass spectrometry to engineer optimized constructs for crystallization of protein complexes: Case study of PI4KIIIbeta with Rab11. Protein Sci. 2016 Apr;25(4):826-39. | ||||
| REF 2 | Design and Structural Characterization of Potent and Selective Inhibitors of Phosphatidylinositol 4 Kinase III. J Med Chem. 2016 Mar 10;59(5):1830-9. | ||||
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