Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99818 | Target Info | |||
| Target Name | HUMAN sodium pump subunit alpha-1 (ATP1A1) | ||||
| Synonyms | Sodium/potassium-transporting ATPase alpha1; Sodium pump 1; Na+/K+ ATPase 1; ATP1A1 | ||||
| Gene Name | ATP1A1 | ||||
| Biochemical Class | Acid anhydrides hydrolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Cryo EM structure of a K+-bound Na+,K+-ATPase in the E2 state | PDB:7E20 | ||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
RDMDELKKEV
39 SMDDHKLSLD49 ELHRKYGTDL59 SRGLTSARAA69 EILARDGPNA79 LTPPPTTPEW 89 IKFCRQLFGG99 FSMLLWIGAI109 LCFLAYSIQA119 ATEEEPQNDN129 LYLGVVLSAV 139 VIITGCFSYY149 QEAKSSKIME159 SFKNMVPQQA169 LVIRNGEKMS179 INAEEVVVGD 189 LVEVKGGDRI199 PADLRIISAN209 GCKVDNSSLT219 GESEPQTRSP229 DFTNENPLET 239 RNIAFFSTNC249 VEGTARGIVV259 YTGDRTVMGR269 IATLASGLEG279 GQTPIAAEIE 289 HFIHIITGVA299 VFLGVSFFIL309 SLILEYTWLE319 AVIFLIGIIV329 ANVPEGLLAT 339 VTVCLTLTAK349 RMARKNCLVK359 NLEAVETLGS369 TSTICSDKTG379 TLTQNRMTVA 389 HMWFDNQIHE399 ADTTENQSGV409 SFDKTSATWL419 ALSRIAGLCN429 RAVFQANQEN 439 LPILKRAVAG449 DASESALLKC459 IELCCGSVKE469 MRERYAKIVE479 IPFNSTNKYQ 489 LSIHKNPNTS499 EPQHLLVMKG509 APERILDRCS519 SILLHGKEQP529 LDEELKDAFQ 539 NAYLELGGLG549 ERVLGFCHLF559 LPDEQFPEGF569 QFDTDDVNFP579 IDNLCFVGLI 589 SMIDPPRAAV599 PDAVGKCRSA609 GIKVIMVTGD619 HPITAKAIAK629 GVGIISEGNE 639 TVEDIAARLN649 IPVSQVNPRD659 AKACVVHGSD669 LKDMTSEQLD679 DILKYHTEIV 689 FARTSPQQKL699 IIVEGCQRQG709 AIVAVTGDGV719 NDSPALKKAD729 IGVAMGIAGS 739 DVSKQAADMI749 LLDDNFASIV759 TGVEEGRLIF769 DNLKKSIAYT779 LTSNIPEITP 789 FLIFIIANIP799 LPLGTVTILC809 IDLGTDMVPA819 ISLAYEQAES829 DIMKRQPRNP 839 KTDKLVNERL849 ISMAYGQIGM859 IQALGGFFTY869 FVILAENGFL879 PIHLLGLRVD 889 WDDRWINDVE899 DSYGQQWTYE909 QRKIVEFTCH919 TAFFVSIVVV929 QWADLVICKT 939 RRNSVFQQGM949 KNKILIFGLF959 EETALAAFLS969 YCPGMGVALR979 MYPLKPTWWF 989 CAFPYSLLIF999 VYDEVRKLII1009 RRRPGGWVEK1019 ETYY
|
|||||
|
|
ILE784
4.850
THR788
3.884
ILE792
3.876
ILE798
4.788
MET859
2.272
ALA862
3.970
LEU863
3.401
PHE866
3.243
PHE867
3.592
PHE870
3.135
VAL871
4.500
GLU875
2.388
PRO880
3.823
ILE881
2.218
LEU884
3.885
TRP931
4.280
ALA932
4.948
VAL935
3.079
VAL944
3.488
PHE945
3.018
GLN946
4.135
GLN947
3.900
GLY948
3.558
MET949
2.748
LYS950
4.639
THR986
3.584
PHE989
3.805
CYS990
3.522
PHE992
3.742
PRO993
3.919
SER995
3.980
LEU996
4.418
PHE999
2.852
ILE784
3.663
ILE787
4.258
THR788
4.207
GLU847
3.318
ILE850
4.953
SER851
4.451
TYR854
4.112
GLY855
3.754
MET859
2.746
LEU863
4.624
ILE881
4.140
LEU884
3.918
TRP931
3.758
THR962
3.534
TYR970
3.920
PRO985
3.326
TRP988
3.641
PHE989
3.619
PHE992
3.292
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phosphothiophosphoric acid-adenylate ester | Ligand Info | |||||
| Structure Description | Cryo EM structure of a Na+-bound Na+,K+-ATPase in the E1 state with ATP-gamma-S | PDB:7E21 | ||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
SMDDHKLSLD
49 ELHRKYGTDL59 SRGLTSARAA69 EILARDGPNA79 LTPPPTTPEW89 IKFCRQLFGG 99 FSMLLWIGAI109 LCFLAYSIQA119 ATEEEPQNDN129 LYLGVVLSAV139 VIITGCFSYY 149 QEAKSSKIME159 SFKNMVPQQA169 LVIRNGEKMS179 INAEEVVVGD189 LVEVKGGDRI 199 PADLRIISAN209 GCKVDNSSLT219 GESEPQTRSP229 DFTNENPLET239 RNIAFFSTNC 249 VEGTARGIVV259 YTGDRTVMGR269 IAGQTPIAAE287 IEHFIHIITG297 VAVFLGVSFF 307 ILSLILEYTW317 LEAVIFLIGI327 IVANVPEGLL337 ATVTVCLTLT347 AKRMARKNCL 357 VKNLEAVETL367 GSTSTICSDK377 TGTLTQNRMT387 VAHMWFDNQI397 HEADTTENQS 407 GVSFDKTSAT417 WLALSRIAGL427 CNRAVFQANQ437 ENLPILKRAV447 AGDASESALL 457 KCIELCCGSV467 KEMRERYAKI477 VEIPFNSTNK487 YQLSIHKNPN497 TSEPQHLLVM 507 KGAPERILDR517 CSSILLHGKE527 QPLDEELKDA537 FQNAYLELGG547 LGERVLGFCH 557 LFLPDEQFPE567 GFQFDTDDVN577 FPIDNLCFVG587 LISMIDPPRA597 AVPDAVGKCR 607 SAGIKVIMVT617 GDHPITAKAI627 AKGVGIISEG637 NETVEDIAAR647 LNIPVSQVNP 657 RDAKACVVHG667 SDLKDMTSEQ677 LDDILKYHTE687 IVFARTSPQQ697 KLIIVEGCQR 707 QGAIVAVTGD717 GVNDSPALKK727 ADIGVAMGIA737 GSDVSKQAAD747 MILLDDNFAS 757 IVTGVEEGRL767 IFDNLKKSIA777 YTLTSNIPEI787 TPFLIFIIAN797 IPLPLGTVTI 807 LCIDLGTDMV817 PAISLAYEQA827 ESDIMKRQPR837 NPKTDKLVNE847 RLISMAYGQI 857 GMIQALGGFF867 TYFVILAENG877 FLPIHLLGLR887 VDWDDRWIND897 VEDSYGQQWT 907 YEQRKIVEFT917 CHTAFFVSIV927 VVQWADLVIC937 KTRRNSVFQQ947 GMKNKILIFG 957 LFEETALAAF967 LSYCPGMGVA977 LRMYPLKPTW987 WFCAFPYSLL997 IFVYDEVRKL 1007 IIRRRPGGWV1017 EKETYY
|
|||||
|
|
ASP376
3.603
LYS377
3.220
THR378
3.260
ASP450
3.593
SER452
3.990
GLU453
4.531
PHE482
3.184
SER484
3.861
LYS487
3.692
TYR488
4.533
GLN489
4.038
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cryo-EM structures of recombinant human sodium-potassium pump determined in three different states. Nat Commun. 2022 Jul 8;13(1):3957. | ||||
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