Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15377 | Target Info | |||
| Target Name | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (ATP2A2) | ||||
| Synonyms | SR Ca(2+)Sarcoplasmic/endoplasmic reticulum calcium ATPase 2-ATPase 2; SR Ca(2+)-ATPase 2; SR Ca(2+)-ATPase; SR Ca(2+) pump; SERCA2; Endoplasmic reticulum class 1/2 Ca(2+) ATPase; Cardiacsarcoplasmic reticulum calcium ATPase; CardiacCa2+ ATPase (SERCA2a); Calciumpump 2; Calcium-transporting ATPase sarcoplasmic reticulum type, slow twitch skeletal muscle isoform; Calcium pump 2; ATP2B | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | ATP2A2 | ||||
| Biochemical Class | Cation transporting ATPase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of the SERCA2a in the E2.ATP state | PDB:7BT2 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
MENAHTKTVE
10 EVLGHFGVNE20 STGLSLEQVK30 KLKERWGSNE40 LPAEEGKTLL50 ELVIEQFEDL 60 LVRILLLAAC70 ISFVLAWFEE80 GEETITAFVE90 PFVILLILVA100 NAIVGVWQER 110 NAENAIEALK120 EYEPEMGKVY130 RQDRKSVQRI140 KAKDIVPGDI150 VEIAVGDKVP 160 ADIRLTSIKS170 TTLRVDQSIL180 TGESVSVIKH190 TDPVPDPRAV200 NQDKKNMLFS 210 GTNIAAGKAM220 GVVVATGVNT230 EIGKIRDEMV240 ATEQERTPLQ250 QKLDEFGEQL 260 SKVISLICIA270 VWIINIGHFN280 DPVHGGSWIR290 GAIYYFKIAV300 ALAVAAIPEG 310 LPAVITTCLA320 LGTRRMAKKN330 AIVRSLPSVE340 TLGCTSVICS350 DKTGTLTTNQ 360 MSVCRMFILD370 RVEGDTCSLN380 EFTITGSTYA390 PIGEVHKDDK400 PVNCHQYDGL 410 VELATICALC420 NDSALDYNEA430 KGVYEKVGEA440 TETALTCLVE450 KMNVFDTELK 460 GLSKIERANA470 CNSVIKQLMK480 KEFTLEFSRD490 RKSMSVYCTP500 NKPSRTSMSK 510 MFVKGAPEGV520 IDRCTHIRVG530 STKVPMTSGV540 KQKIMSVIRE550 WGSGSDTLRC 560 LALATHDNPL570 RREEMHLEDS580 ANFIKYETNL590 TFVGCVGMLD600 PPRIEVASSV 610 KLCRQAGIRV620 IMITGDNKGT630 AVAICRRIGI640 FGQDEDVTSK650 AFTGREFDEL 660 NPSAQRDACL670 NARCFARVEP680 SHKSKIVEFL690 QSFDEITAMT700 GDGVNDAPAL 710 KKAEIGIAMG720 SGTAVAKTAS730 EMVLADDNFS740 TIVAAVEEGR750 AIYNNMKQFI 760 RYLISSNVGE770 VVCIFLTAAL780 GFPEALIPVQ790 LLWVNLVTDG800 LPATALGFNP 810 PDLDIMNKPP820 RNPKEPLISG830 WLFFRYLAIG840 CYVGAATVGA850 AAWWFIAADG 860 GPRVSFYQLS870 HFLQCKEDNP880 DFEGVDCAIF890 ESPYPMTMAL900 SVLVTIEMCN 910 ALNSLSENQS920 LLRMPPWENI930 WLVGSICLSM940 SLHFLILYVE950 PLPLIFQITP 960 LNVTQWLMVL970 KISLPVILMD980 ETLKFVARNY990 L
|
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|
|
ASP351
3.628
LYS352
3.423
THR353
2.751
GLU439
3.065
THR441
4.542
GLU442
3.040
PHE487
3.283
ARG489
3.220
LYS492
3.472
SER493
4.123
MET494
3.603
LYS514
2.954
GLY515
3.492
|
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| Ligand Name: L-betagamma-meATP | Ligand Info | |||||
| Structure Description | CryoEM structure of SERCA2b T1032stop in E1-2Ca2+-AMPPCP (class1) | PDB:6LN5 | ||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
MENAHTKTVE
10 EVLGHFGVNE20 STGLSLEQVK30 KLKERWGSNE40 LPAEEGKTLL50 ELVIEQFEDL 60 LVRILLLAAC70 ISFVLAWFEE80 GEETITAFVE90 PFVILLILVA100 NAIVGVWQER 110 NAENAIEALK120 EYEPEMGKVY130 RQDRKSVQRI140 KAKDIVPGDI150 VEIAVGDKVP 160 ADIRLTSIKS170 TTLRVDQSIL180 TGESVSVIKH190 TDPVPDPRAV200 NQDKKNMLFS 210 GTNIAAGKAM220 GVVVATGVNT230 EIGKIRDEMV240 ATEQERTPLQ250 QKLDEFGEQL 260 SKVISLICIA270 VWIINIGHFN280 DPVHGGSWIR290 GAIYYFKIAV300 ALAVAAIPEG 310 LPAVITTCLA320 LGTRRMAKKN330 AIVRSLPSVE340 TLGCTSVICS350 DKTGTLTTNQ 360 MSVCRMFILD370 RVEGDTCSLN380 EFTITGSTYA390 PIGEVHKDDK400 PVNCHQYDGL 410 VELATICALC420 NDSALDYNEA430 KGVYEKVGEA440 TETALTCLVE450 KMNVFDTELK 460 GLSKIERANA470 CNSVIKQLMK480 KEFTLEFSRD490 RKSMSVYCTP500 NKPSRTSMSK 510 MFVKGAPEGV520 IDRCTHIRVG530 STKVPMTSGV540 KQKIMSVIRE550 WGSGSDTLRC 560 LALATHDNPL570 RREEMHLEDS580 ANFIKYETNL590 TFVGCVGMLD600 PPRIEVASSV 610 KLCRQAGIRV620 IMITGDNKGT630 AVAICRRIGI640 FGQDEDVTSK650 AFTGREFDEL 660 NPSAQRDACL670 NARCFARVEP680 SHKSKIVEFL690 QSFDEITAMT700 GDGVNDAPAL 710 KKAEIGIAMG720 SGTAVAKTAS730 EMVLADDNFS740 TIVAAVEEGR750 AIYNNMKQFI 760 RYLISSNVGE770 VVCIFLTAAL780 GFPEALIPVQ790 LLWVNLVTDG800 LPATALGFNP 810 PDLDIMNKPP820 RNPKEPLISG830 WLFFRYLAIG840 CYVGAATVGA850 AAWWFIAADG 860 GPRVSFYQLS870 HFLQCKEDNP880 DFEGVDCAIF890 ESPYPMTMAL900 SVLVTIEMCN 910 ALNSLSENQS920 LLRMPPWENI930 WLVGSICLSM940 SLHFLILYVE950 PLPLIFQITP 960 LNVTQWLMVL970 KISLPVILMD980 ETLKFVARNY990 LEGISWPFVL1020 LIMPLVIWVY 1030 S
|
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|
|
ASP351
2.617
LYS352
3.423
THR353
3.081
THR441
4.436
GLU442
3.139
PHE487
3.244
ARG489
2.865
LYS492
3.730
SER493
4.190
MET494
3.865
LYS514
3.399
GLY515
3.479
ALA516
3.730
PRO517
4.740
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | What ATP binding does to the Ca(2+) pump and how nonproductive phosphoryl transfer is prevented in the absence of Ca(2). Proc Natl Acad Sci U S A. 2020 Aug 4;117(31):18448-18458. | ||||
| REF 2 | Cryo-EM structures of SERCA2b reveal the mechanism of regulation by the luminal extension tail. Sci Adv. 2020 Aug 12;6(33):eabb0147. | ||||
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