Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40491 | Target Info | |||
| Target Name | Serine/threonine PP2A-alpha (PPP2CA) | ||||
| Synonyms | Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform; Replication protein C; RP-C; PP2A-alpha | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PPP2CA | ||||
| Biochemical Class | Phosphoric monoester hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Okadaic acid | Ligand Info | |||||
| Structure Description | Structure of the Protein Phosphatase 2A Core Enzyme Bound to okadaic acid | PDB:2IE4 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
FTKELDQWIE
15 QLNECKQLSE25 SQVKSLCEKA35 KEILTKESNV45 QEVRCPVTVC55 GDVHGQFHDL 65 MELFRIGGKS75 PDTNYLFMGD85 YVDRGYYSVE95 TVTLLVALKV105 RYRERITILR 115 GNHESRQITQ125 VYGFYDECLR135 KYGNANVWKY145 FTDLFDYLPL155 TALVDGQIFC 165 LHGGLSPSID175 TLDHIRALDR185 LQEVPHEGPM195 CDLLWSDPDD205 RGGWGISPRG 215 AGYTFGQDIS225 ETFNHANGLT235 LVSRAHQLVM245 EGYNWCHDRN255 VVTIFSAPNY 265 CYRCGNQAAI275 MELDDTLKYS285 FLQFDPAP
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| Ligand Name: 35-Methylokadaic acid | Ligand Info | |||||
| Structure Description | Protein phosphatase 2A core complex bound to dinophysistoxin-1 | PDB:3K7V | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [2] |
| PDB Sequence |
FTKELDQWIE
15 QLNECKQLSE25 SQVKSLCEKA35 KEILTKESNV45 QEVRCPVTVC55 GDVHGQFHDL 65 MELFRIGGKS75 PDTNYLFMGD85 YVDRGYYSVE95 TVTLLVALKV105 RYRERITILR 115 GNHESRQITQ125 VYGFYDECLR135 KYGNANVWKY145 FTDLFDYLPL155 TALVDGQIFC 165 LHGGLSPSID175 TLDHIRALDR185 LQEVPHEGPM195 CDLLWSDPDD205 RGGWGISPRG 215 AGYTFGQDIS225 ETFNHANGLT235 LVSRAHQLVM245 EGYNWCHDRN255 VVTIFSAPNY 265 CYRCGNQAAI275 MELDDTLKYS285 FLQFDPAP
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| Ligand Name: Yran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid | Ligand Info | |||||
| Structure Description | Protein phosphatase 2A core complex bound to dinophysistoxin-2 | PDB:3K7W | ||||
| Method | X-ray diffraction | Resolution | 2.96 Å | Mutation | No | [2] |
| PDB Sequence |
FTKELDQWIE
15 QLNECKQLSE25 SQVKSLCEKA35 KEILTKESNV45 QEVRCPVTVC55 GDVHGQFHDL 65 MELFRIGGKS75 PDTNYLFMGD85 YVDRGYYSVE95 TVTLLVALKV105 RYRERITILR 115 GNHESRQITQ125 VYGFYDECLR135 KYGNANVWKY145 FTDLFDYLPL155 TALVDGQIFC 165 LHGGLSPSID175 TLDHIRALDR185 LQEVPHEGPM195 CDLLWSDPDD205 RGGWGISPRG 215 AGYTFGQDIS225 ETFNHANGLT235 LVSRAHQLVM245 EGYNWCHDRN255 VVTIFSAPNY 265 CYRCGNQAAI275 MELDDTLKYS285 FLQFDPAP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XT2 or .XT22 or .XT23 or :3XT2;style chemicals stick;color identity;select .C:89 or .C:117 or .C:118 or .C:122 or .C:123 or .C:127 or .C:190 or .C:191 or .C:196 or .C:200 or .C:213 or .C:214 or .C:215 or .C:216 or .C:243 or .C:265 or .C:266 or .C:268 or .C:269; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phosphothiophosphoric acid-adenylate ester | Ligand Info | |||||
| Structure Description | Crystal Structure of Protein Phosphatase 2A (PP2A) and PP2A phosphatase activator (PTPA) complex with ATPgammaS | PDB:4LAC | ||||
| Method | X-ray diffraction | Resolution | 2.82 Å | Mutation | No | [3] |
| PDB Sequence |
KVFTKELDQW
13 IEQLNECKQL23 SESQVKSLCE33 KAKEILTKES43 NVQEVRCPVT53 VCGDVHGQFH 63 DLMELFRIGG73 KSPDTNYLFM83 GDYVDRGYYS93 VETVTLLVAL103 KVRYRERITI 113 LRGNHESRQI123 TQVYGFYDEC133 LRKYGNANVW143 KYFTDLFDYL153 PLTALVDGQI 163 FCLHGGLSPS173 IDTLDHIRAL183 DRLQEVPHEG193 PMCDLLWSDP203 DDRGGWGISP 213 RGAGYTFGQD223 ISETFNHANG233 LTLVSRAHQL243 VMEGYNWCHD253 RNVVTIFSAP 263 NYCYRCGNQA273 AIMELDDTLK283 YSFLQFDPAP293
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGS or .AGS2 or .AGS3 or :3AGS;style chemicals stick;color identity;select .C:57 or .C:59 or .C:85 or .C:89 or .C:117 or .C:118 or .C:127 or .C:167 or .C:200 or .C:213 or .C:214 or .C:215 or .C:241 or .C:242 or .C:265; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5'-{[(3s)-3-Amino-3-Carboxypropyl](Ethyl)amino}-5'-Deoxyadenosine | Ligand Info | |||||
| Structure Description | Crystal structure of the complex of LCMT-1 and PP2A | PDB:3P71 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [4] |
| PDB Sequence |
DEKVFTKELD
11 QWIEQLNECK21 QLSESQVKSL31 CEKAKEILTK41 ESNVQEVRCP51 VTVCGDVHGQ 61 FHDLMELFRI71 GGKSPDTNYL81 FMGDYVDRGY91 YSVETVTLLV101 ALKVRYRERI 111 TILRGNHESR121 QITQVYGFYD131 ECLRKYGNAN141 VWKYFTDLFD151 YLPLTALVDG 161 QIFCLHGGLS171 PSIDTLDHIR181 ALDRLQEVPH191 EGPMCDLLWS201 DPDDRGGWGI 211 SPRGAGYTFG221 QDISETFNHA231 NGLTLVSRAH241 QLVMEGYNWC251 HDRNVVTIFS 261 APNYCYRCGN271 QAAIMELDDT281 LKYSFLQFDP291 APHVTRRTPD306 YFL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AN6 or .AN62 or .AN63 or :3AN6;style chemicals stick;color identity;select .C:309; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl L-leucinate | Ligand Info | |||||
| Structure Description | Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small Molecule Activator of PP2A (SMAP) | PDB:6NTS | ||||
| Method | Electron microscopy | Resolution | 3.63 Å | Mutation | No | [5] |
| PDB Sequence |
DEKVFTKELD
11 QWIEQLNECK21 QLSESQVKSL31 CEKAKEILTK41 ESNVQEVRCP51 VTVCGDVHGQ 61 FHDLMELFRI71 GGKSPDTNYL81 FMGDYVNRGY91 YSVETVTLLV101 ALKVRYRERI 111 TILRGNHESR121 QITQVYGFYD131 ECLRKYGNAN141 VWKYFTDLFD151 YLPLTALVDG 161 QIFCLHGGLS171 PSIDTLDHIR181 ALDRLQEVPH191 EGPMCDLLWS201 DPDDRGGWGI 211 SPRGAGYTFG221 QDISETFNHA231 NGLTLVSRAH241 QLVMEGYNWC251 HDRNVVTIFS 261 APNYCYRCGN271 QAAIMELDDT281 LKYSFLQFDP291 APRYF
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MLL or .MLL2 or .MLL3 or :3MLL;style chemicals stick;color identity;select .C:307 or .C:308; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small Molecule Activator of PP2A (SMAP) | PDB:6NTS | ||||
| Method | Electron microscopy | Resolution | 3.63 Å | Mutation | No | [5] |
| PDB Sequence |
DEKVFTKELD
11 QWIEQLNECK21 QLSESQVKSL31 CEKAKEILTK41 ESNVQEVRCP51 VTVCGDVHGQ 61 FHDLMELFRI71 GGKSPDTNYL81 FMGDYVNRGY91 YSVETVTLLV101 ALKVRYRERI 111 TILRGNHESR121 QITQVYGFYD131 ECLRKYGNAN141 VWKYFTDLFD151 YLPLTALVDG 161 QIFCLHGGLS171 PSIDTLDHIR181 ALDRLQEVPH191 EGPMCDLLWS201 DPDDRGGWGI 211 SPRGAGYTFG221 QDISETFNHA231 NGLTLVSRAH241 QLVMEGYNWC251 HDRNVVTIFS 261 APNYCYRCGN271 QAAIMELDDT281 LKYSFLQFDP291 APRYF
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L2J or .L2J2 or .L2J3 or :3L2J;style chemicals stick;color identity;select .C:307 or .C:308; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of protein phosphatase 2A core enzyme bound to tumor-inducing toxins. Cell. 2006 Oct 20;127(2):341-53. | ||||
| REF 2 | A structural basis for the reduced toxicity of dinophysistoxin-2. Chem Res Toxicol. 2009 Nov;22(11):1782-6. | ||||
| REF 3 | Structural basis of PP2A activation by PTPA, an ATP-dependent activation chaperone. Cell Res. 2014 Feb;24(2):190-203. | ||||
| REF 4 | The structural basis for tight control of PP2A methylation and function by LCMT-1. Mol Cell. 2011 Feb 4;41(3):331-42. | ||||
| REF 5 | Selective PP2A Enhancement through Biased Heterotrimer Stabilization. Cell. 2020 Apr 30;181(3):688-701.e16. | ||||
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