Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84316 | Target Info | |||
| Target Name | Voltage-gated calcium channel alpha-2/delta-1 (CACNA2D1) | ||||
| Synonyms | Voltage-gated calcium channel subunit alpha-2/delta-1; Voltage-dependent calcium channel subunit delta-1; Voltage-dependent calcium channel subunit alpha-2-1; MHS3; CCHL2A; CACNL2A; CACNA2D1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | CACNA2D1 | ||||
| Biochemical Class | Voltage-gated ion channel | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol hemisuccinate | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C | ||||
| InChI | 1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1 | ||||
| InChIKey | WLNARFZDISHUGS-MIXBDBMTSA-N | ||||
| PubChem Compound ID | 65082 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7MIX Human N-type voltage-gated calcium channel Cav2.2 in the presence of ziconotide at 3.0 Angstrom resolution | ||||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
FPSAVTIKSW
36 VDKMQEDLVT46 LAKTASGVNQ56 LVDIYEKYQD66 LYTVEPNNAR76 QLVEIAARDI 86 EKLLSNRSKA96 LVRLALEAEK106 VQAAHQWRED116 FASNEVVYYN126 AKDDEPGSQR 144 IKPVFIEDAN154 FGRQISYQHA164 AVHIPTDIYE174 GSTIVLNELN184 WTSALDEVFK 194 KNREEDPSLL204 WQVFGSATGL214 ARYYPASPWV224 KIDLYDVRRR241 PWYIQGAASP 251 KDMLILVDVS261 GSVSGLTLKL271 IRTSVSEMLE281 TLSDDDFVNV291 ASFNSNAQDV 301 SCFQHLVQAN311 VRNKKVLKDA321 VNNITAKGIT331 DYKKGFSFAF341 EQLLNYNVSR 351 ANCNKIIMLF361 TDGGEERAQE371 IFNKYNKDKK381 VRVFTFSVGQ391 HNYDRGPIQW 401 MACENKGYYY411 EIPSIGAIRI421 NTQEYLDVLG431 RPMVLAGDKA441 KQVQWTNVYL 451 DALELGLVIT461 GTLPVFNITG471 QFENKTNLKN481 QLILGVMGVD491 VSLEDIKRLT 501 PRFTLCPNGY511 YFAIDPNGYV521 LLHPNLQPKP531 IGVGIPTINS553 QEPVTLDFLD 563 AELENDIKVE573 IRNKMIDGES583 GEKTFRTLVK593 SQDERYIDKG603 NRTYTWTPVN 613 GTDYSLALVL623 PTYSFYYIKA633 KLEETITQAR643 YSETLKPDNF653 EESGYTFIAP 663 RDYCNDLKIS673 DNNTEFLLNF683 NEFIDRKTPN693 NPSCNADLIN703 RVLLDAGFTN 713 ELVQNYWSKQ723 KNIKGVKARF733 VVTDGGITRV743 YPKEAGENWQ753 ENPETYEDSF 763 YKRSLDNDNY773 VFTAPYFNKS783 GPGAYESGIM793 VSKAVEIYIQ803 GKLLKPAVVG 813 IKIDVNSWIE823 NFTKRNSDVM848 DCVILDDGGF858 LLMANHDDYT868 NQIGRFFGEI 878 DPSLMRHLVN888 ISVYAFNKSY898 DYQSVCEPGA908 ASKQSCITEQ978 TQYFFDNDSK 988 SFSGVLDCGN998 CSRIFHGEKL1008 MNTNLIFIMV1018 ESKGTCPCDT1028 RLLIQAEQTS 1038 DGPNPCDMVK1048 QPRYRKGPDV1058 CFDNNVLEDY1068 TDCGGVSG
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| PDB ID: 7MIY Human N-type voltage-gated calcium channel Cav2.2 at 3.1 Angstrom resolution | ||||||
| Method | Electron microscopy | Resolution | 3.10 Å | Mutation | No | [1] |
| PDB Sequence |
FPSAVTIKSW
36 VDKMQEDLVT46 LAKTASGVNQ56 LVDIYEKYQD66 LYTVEPNNAR76 QLVEIAARDI 86 EKLLSNRSKA96 LVRLALEAEK106 VQAAHQWRED116 FASNEVVYYN126 AKDDEPGSQR 144 IKPVFIEDAN154 FGRQISYQHA164 AVHIPTDIYE174 GSTIVLNELN184 WTSALDEVFK 194 KNREEDPSLL204 WQVFGSATGL214 ARYYPASPWV224 KIDLYDVRRR241 PWYIQGAASP 251 KDMLILVDVS261 GSVSGLTLKL271 IRTSVSEMLE281 TLSDDDFVNV291 ASFNSNAQDV 301 SCFQHLVQAN311 VRNKKVLKDA321 VNNITAKGIT331 DYKKGFSFAF341 EQLLNYNVSR 351 ANCNKIIMLF361 TDGGEERAQE371 IFNKYNKDKK381 VRVFTFSVGQ391 HNYDRGPIQW 401 MACENKGYYY411 EIPSIGAIRI421 NTQEYLDVLG431 RPMVLAGDKA441 KQVQWTNVYL 451 DALELGLVIT461 GTLPVFNITG471 QFENKTNLKN481 QLILGVMGVD491 VSLEDIKRLT 501 PRFTLCPNGY511 YFAIDPNGYV521 LLHPNLQPKP531 IGVGIPTINS553 QEPVTLDFLD 563 AELENDIKVE573 IRNKMIDGES583 GEKTFRTLVK593 SQDERYIDKG603 NRTYTWTPVN 613 GTDYSLALVL623 PTYSFYYIKA633 KLEETITQAR643 YSETLKPDNF653 EESGYTFIAP 663 RDYCNDLKIS673 DNNTEFLLNF683 NEFIDRKTPN693 NPSCNADLIN703 RVLLDAGFTN 713 ELVQNYWSKQ723 KNIKGVKARF733 VVTDGGITRV743 YPKEAGENWQ753 ENPETYEDSF 763 YKRSLDNDNY773 VFTAPYFNKS783 GPGAYESGIM793 VSKAVEIYIQ803 GKLLKPAVVG 813 IKIDVNSWIE823 NFTKRNSDVM848 DCVILDDGGF858 LLMANHDDYT868 NQIGRFFGEI 878 DPSLMRHLVN888 ISVYAFNKSY898 DYQSVCEPGA908 ASKQSCITEQ978 TQYFFDNDSK 988 SFSGVLDCGN998 CSRIFHGEKL1008 MNTNLIFIMV1018 ESKGTCPCDT1028 RLLIQAEQTS 1038 DGPNPCDMVK1048 QPRYRKGPDV1058 CFDNNVLEDY1068 TDCGGVSG
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of human Ca(v)2.2 channel blocked by the painkiller ziconotide. Nature. 2021 Aug;596(7870):143-147. | ||||
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