Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T97729 | Target Info | |||
| Target Name | HUMAN two pore channel subtype 2 (TPC2) | ||||
| Synonyms | Voltage-dependent calcium channel protein TPC2; TPC2 | ||||
| Gene Name | TPCN2 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate | Ligand Info | |||
| Canonical SMILES | CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC | ||||
| InChI | 1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-25-21(29)23(42-45(31,32)33)20(28)24(22(25)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20?,21-,22-,23-,24+,25?/m1/s1 | ||||
| InChIKey | QXHVLVSULWMTCV-MKRLDBNQSA-N | ||||
| PubChem Compound ID | 11657962 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6NQ2 Cryo-EM structure of human TPC2 channel in the ligand-bound closed state | ||||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | No | [1] |
| PDB Sequence |
AARWDLCIDQ
48 AVVFIEDAIQ58 YRSINHRVDA68 SSMWLYRRYY78 SNVCQRTLSF88 TIFLILFLAF 98 IETPSSLTST108 ADVRYRAAPW118 EPPCGLTESV128 EVLCLLVFAA138 DLSVKGYLFG 148 WAHFQKNLWL158 LGYLVVLVVS168 LVDWTVSLSL178 VCHEPLRIRR188 LLRPFFLLQN 198 SSMMKKTLKC208 IRWSLPEMAS218 VGLLLAIHLC228 LFTMFGMLLF238 AGLTYFQNLP 259 ESLTSLLVLL269 TTANNPDVMI279 PAYSKNRAYA289 IFFIVFTVIG299 SLFLMNLLTA 309 IIYSQFRGYL319 MKSLQTSLFR329 RRLGTRAAFE339 VLSSMVGAVG356 VKPQNLLQVL 366 QKVQLDSSHK376 QAMMEKVRSY386 GSVLLSAEEF396 QKLFNELDRS406 VVKEHPPRPE 416 YQSPFLQSAQ426 FLFGHYYFDY436 LGNLIALANL446 VSICVFLVLD456 ADVLPAERDD 466 FILGILNCVF476 IVYYLLEMLL486 KVFALGLRGY496 LSYPSNVFDG506 LLTVVLLVLE 516 ISTLAVYRLS539 LWDMTRMLNM549 LIVFRFLRII559 PSMKPMAVVA569 STVLGLVQNM 579 RAFGGILVVV589 YYVFAIIGIN599 LFRGVIVALS620 APCGSFEQLE630 YWANNFDDFA 640 AALVTLWNLM650 VVNNWQVFLD660 AYRRYSGPWS670 KIYFVLWWLV680 SSVIWVNLFL 690 ALILENFLHK700 W
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| PDB ID: 6NQ0 Cryo-EM structure of human TPC2 channel in the ligand-bound open state | ||||||
| Method | Electron microscopy | Resolution | 3.70 Å | Mutation | No | [1] |
| PDB Sequence |
AARWDLCIDQ
48 AVVFIEDAIQ58 YRSINHRVDA68 SSMWLYRRYY78 SNVCQRTLSF88 TIFLILFLAF 98 IETPSSLTST108 ADVRYRAAPW118 EPPCGLTESV128 EVLCLLVFAA138 DLSVKGYLFG 148 WAHFQKNLWL158 LGYLVVLVVS168 LVDWTVSLSL178 VCHEPLRIRR188 LLRPFFLLQN 198 SSMMKKTLKC208 IRWSLPEMAS218 VGLLLAIHLC228 LFTMFGMLLF238 AGLTYFQNLP 259 ESLTSLLVLL269 TTANNPDVMI279 PAYSKNRAYA289 IFFIVFTVIG299 SLFLMNLLTA 309 IIYSQFRGYL319 MKSLQTSLFR329 RRLGTRAAFE339 VLSSMVGAVG356 VKPQNLLQVL 366 QKVQLDSSHK376 QAMMEKVRSY386 GSVLLSAEEF396 QKLFNELDRS406 VVKEHPPRPE 416 YQSPFLQSAQ426 FLFGHYYFDY436 LGNLIALANL446 VSICVFLVLD456 ADVLPAERDD 466 FILGILNCVF476 IVYYLLEMLL486 KVFALGLRGY496 LSYPSNVFDG506 LLTVVLLVLE 516 ISTLAVYRLS539 LWDMTRMLNM549 LIVFRFLRII559 PSMKPMAVVA569 STVLGLVQNM 579 RAFGGILVVV589 YYVFAIIGIN599 LFRGVIVALS620 APCGSFEQLE630 YWANNFDDFA 640 AALVTLWNLM650 VVNNWQVFLD660 AYRRYSGPWS670 KIYFVLWWLV680 SSVIWVNLFL 690 ALILENFLHK700 W
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural mechanisms of phospholipid activation of the human TPC2 channel. Elife. 2019 Mar 12;8:e45222. | ||||
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