Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T93325 | Target Info | |||
| Target Name | Spliceosome-associated protein 155 (SF3B1) | ||||
| Synonyms | Splicing factor 3B subunit 1; SF3b155; SAP155; SAP 155; Pre-mRNA-splicing factor SF3b 155 kDa subunit | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | SF3B1 | ||||
| Biochemical Class | SF3B1 family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(2R,3R,4S,6S)-3,4-dihydroxy-6-methoxy-4,6-dimethyloxan-2-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate | Ligand Info | |||
| Canonical SMILES | CC1CC(C(OC1CC=C(C)C=CC2C(C(CC(O2)(C)OC)(C)O)O)C)NC(=O)C=CC(C)OC(=O)C | ||||
| InChI | 1S/C28H45NO8/c1-17(10-13-24-26(32)27(6,33)16-28(7,34-8)37-24)9-12-23-18(2)15-22(20(4)36-23)29-25(31)14-11-19(3)35-21(5)30/h9-11,13-14,18-20,22-24,26,32-33H,12,15-16H2,1-8H3,(H,29,31)/b13-10+,14-11-,17-9+/t18-,19-,20+,22+,23-,24+,26+,27-,28-/m0/s1 | ||||
| InChIKey | KFBJURVXOOMXKK-GSHHMAPISA-N | ||||
| PubChem Compound ID | 156587330 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7B9C Structure of a minimal SF3B core in complex with spliceostatin A (form I) | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
NLPFLKPDDI
472 QYFDKLLVDV482 DESTLSPEEQ492 KERKIMKLLL502 KIKNGTPPMR512 KAALRQITDK 522 AREFGAGPLF532 NQILPLLMSP542 TLEDQERHLL552 VKVIDRILYK562 LDDLVRPYVH 572 KILVVIEPLL582 IDEDYYARVE592 GREIISNLAK602 AAGLATMIST612 MRPDIDNMDE 622 YVRNTTARAF632 AVVASALGIP642 SLLPFLKAVC652 KSKKSWQARH662 TGIKIVQQIA 672 ILMGCAILPH682 LRSLVEIIEH692 GLVDEQQKVR702 TISALAIAAL712 AEAATPYGIE 722 SFDSVLKPLW732 KGIRQHRGKG742 LAAFLKAIGY752 LIPLMDAEYA762 NYYTREVMLI 772 LIREFQSPDE782 EMKKIVLKVV792 KQCCGTDGVE802 ANYIKTEILP812 PFFKHFWQHR 822 MALDRRNYRQ832 LVDTTVELAN842 KVGAAEIISR852 IVDDLKDEAE862 QYRKMVMETI 872 EKIMGNLGAA882 DIDHKLEEQL892 IDGILYAFQE902 QTTEDSVMLN912 GFGTVVNALG 922 KRVKPYLPQI932 CGTVLWRLNN942 KSAKVRQQAA952 DLISRTAVVM962 KTCQEEKLMG 972 HLGVVLYEYL982 GEEYPEVLGS992 ILGALKAIVN1002 VIGMHKMTPP1012 IKDLLPRLTP 1022 ILKNRHEKVQ1032 ENCIDLVGRI1042 ADRGAEYVSA1052 REWMRICFEL1062 LELLKAHKKA 1072 IRRATVNTFG1082 YIAKAIGPHD1092 VLATLLNNLK1102 VQERQNRVCT1112 TVAIAIVAET 1122 CSPFTVLPAL1132 MNEYRVPELN1142 VQNGVLKSLS1152 FLFEYIGEMG1162 KDYIYAVTPL 1172 LEDALMDRDL1182 VHRQTASAVV1192 QHMSLGVYGF1202 GCEDSLNHLL1212 NYVWPNVFET 1222 SPHVIQAVMG1232 ALEGLRVAIG1242 PCRMLQYCLQ1252 GLFHPARKVR1262 DVYWKIYNSI 1272 YIGSQDALIA1282 HYPRIYNDDK1292 NTYIRYELDY1302 IL
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| PDB ID: 7B0I Structure of a minimal SF3B core in complex with spliceostatin A (form II) | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
NLPFLKPDDI
472 QYFDKLLVDV482 DESTLSPEEQ492 KERKIMKLLL502 KIKNGTPPMR512 KAALRQITDK 522 AREFGAGPLF532 NQILPLLMSP542 TLEDQERHLL552 VKVIDRILYK562 LDDLVRPYVH 572 KILVVIEPLL582 IDEDYYARVE592 GREIISNLAK602 AAGLATMIST612 MRPDIDNMDE 622 YVRNTTARAF632 AVVASALGIP642 SLLPFLKAVC652 KSKKSWQARH662 TGIKIVQQIA 672 ILMGCAILPH682 LRSLVEIIEH692 GLVDEQQKVR702 TISALAIAAL712 AEAATPYGIE 722 SFDSVLKPLW732 KGIRQHRGKG742 LAAFLKAIGY752 LIPLMDAEYA762 NYYTREVMLI 772 LIREFQSPDE782 EMKKIVLKVV792 KQCCGTDGVE802 ANYIKTEILP812 PFFKHFWQHR 822 MALDRRNYRQ832 LVDTTVELAN842 KVGAAEIISR852 IVDDLKDEAE862 QYRKMVMETI 872 EKIMGNLGAA882 DIDHKLEEQL892 IDGILYAFQE902 QTTEDSVMLN912 GFGTVVNALG 922 KRVKPYLPQI932 CGTVLWRLNN942 KSAKVRQQAA952 DLISRTAVVM962 KTCQEEKLMG 972 HLGVVLYEYL982 GEEYPEVLGS992 ILGALKAIVN1002 VIGMHKMTPP1012 IKDLLPRLTP 1022 ILKNRHEKVQ1032 ENCIDLVGRI1042 ADRGAEYVSA1052 REWMRICFEL1062 LELLKAHKKA 1072 IRRATVNTFG1082 YIAKAIGPHD1092 VLATLLNNLK1102 VQERQNRVCT1112 TVAIAIVAET 1122 CSPFTVLPAL1132 MNEYRVPELN1142 VQNGVLKSLS1152 FLFEYIGEMG1162 KDYIYAVTPL 1172 LEDALMDRDL1182 VHRQTASAVV1192 QHMSLGVYGF1202 GCEDSLNHLL1212 NYVWPNVFET 1222 SPHVIQAVMG1232 ALEGLRVAIG1242 PCRMLQYCLQ1252 GLFHPARKVR1262 DVYWKIYNSI 1272 YIGSQDALIA1282 HYPRIYNDDK1292 NTYIRYELDY1302 IL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of intron selection by U2 snRNP in the presence of covalent inhibitors. Nat Commun. 2021 Jul 23;12(1):4491. | ||||
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