Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T58890 | Target Info | |||
| Target Name | Solute carrier family 12 member 4 (SLC12A4) | ||||
| Synonyms | hKCC1; KCC1; Erythroid K-Cl cotransporter 1; Electroneutral potassium-chloride cotransporter 1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | SLC12A4 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5957 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7AIP Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | ||||||
| Method | Electron microscopy | Resolution | 3.12 Å | Mutation | No | [1] |
| PDB Sequence |
PSMGTLMGVY
125 LPCLQNIFGV135 ILFLRLTWMV145 GTAGVLQALL155 IVLICCCCTL165 LTAISMSAIA 175 TNGVVPAGGS185 YFMISRSLGP195 EFGGAVGLCF205 YLGTTFAAAM215 YILGAIEILL 225 TYIAPPAAIF235 YSNATLNNMR252 VYGTIFLTFM262 TLVVFVGVKY272 VNKFASLFLA 282 CVIISILSIY292 AGGIKSIFDP302 PVFPVCMLGN312 RTLSRDQFDI322 CAKTAVVDNE 332 TVATQLWSFF342 CHSPNLTTDS352 CDPYFMLNNV362 TEIPGIPGAA372 AGVLQENLWS 382 AYLEKGDIVE392 KHGLPSADAP402 SLKESLPLYV412 VADIATSFTV422 LVGIFFPSVT 432 GIMAGSNRSG442 DLRDAQKSIP452 VGTILAIITT462 SLVYFSSVVL472 FGACIEGVVL 482 RDKYGDGVSR492 NLVVGTLAWP502 SPWVIVIGSF512 FSTCGAGLQS522 LTGAPRLLQA 532 IAKDNIIPFL542 RVFGHGKVNG552 EPTWALLLTA562 LIAELGILIA572 SLDMVAPILS 582 MFFLMCYLFV592 NLACAVQTLL602 RTPNWRPRFK612 YYHWALSFLG622 MSLCLALMFV 632 SSWYYALVAM642 LIAGMIYKYI652 EYQGAEKEWG662 DGIRGLSLSA672 ARYALLRLEE 682 GPPHTKNWRP692 QLLVLLKLDE702 DLHVKYPRLL712 TFASQLKAGK722 GLTIVGSVIQ 732 GFLESYGEAQ743 AAEQTIKNMM753 EIEKVKGFCQ763 VVVASKVREG773 LAHLIQSCGL 783 GGMRHNSVVL793 GWPYGWRQSE803 DPRAWKTFID813 TVRCTTAAHL823 ALLVPKNIAF 833 YPSNHERYLE843 GHIDVWWIVH853 DGGMLMLLPF863 LLRQHKVWRK873 CRMRIFTVNS 888 IQMKKDLAVF898 LYHLRLEAEV908 EVVEMHNDIS919 AYTYERTSNV1016 RRMHTAVKLN 1026 EVIVTRSHDA1036 RLVLLNMPGP1046 PRNSEGDENY1056 MEFLEVLTEG1066 LERVLLVRGG 1076 GREVI
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LEU697
2.791
LEU698
2.850
LYS699
3.134
LEU700
4.903
LYS707
3.400
TYR708
2.912
GLY728
4.986
SER729
3.881
VAL730
3.115
VAL770
3.205
LEU774
3.520
LEU793
3.714
|
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| PDB ID: 7AIR Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 2) | ||||||
| Method | Electron microscopy | Resolution | 3.66 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
PSMGTLMGVY 125 LPCLQNIFGV135 ILFLRLTWMV145 GTAGVLQALL155 IVLICCCCTL165 LTAISMSAIA 175 TNGVVPAGGS185 YFMISRSLGP195 EFGGAVGLCF205 YLGTTFAAAM215 YILGAIEILL 225 TYIAPPAAIF235 YSNATLNNMR252 VYGTIFLTFM262 TLVVFVGVKY272 VNKFASLFLA 282 CVIISILSIY292 AGGIKSIFDP302 PVFPVCMLGN312 RTLSRDQFDI322 CAKTAVVDNE 332 TVATQLWSFF342 CHSPNLTTDS352 CDPYFMLNNV362 TEIPGIPGAA372 AGVLQENLWS 382 AYLEKGDIVE392 KHGLPSADAP402 SLKESLPLYV412 VADIATSFTV422 LVGIFFPSVT 432 GIMAGSNRSG442 DLRDAQKSIP452 VGTILAIITT462 SLVYFSSVVL472 FGACIEGVVL 482 RDKYGDGVSR492 NLVVGTLAWP502 SPWVIVIGSF512 FSTCGAGLQS522 LTGAPRLLQA 532 IAKDNIIPFL542 RVFGHGKVNG552 EPTWALLLTA562 LIAELGILIA572 SLDMVAPILS 582 MFFLMCYLFV592 NLACAVQTLL602 RTPNWRPRFK612 YYHWALSFLG622 MSLCLALMFV 632 SSWYYALVAM642 LIAGMIYKYI652 EYQGAEKEWG662 DGIRGLSLSA672 ARYALLRLEE 682 GPPHTKNWRP692 QLLVLLKLDE702 DLHVKYPRLL712 TFASQLKAGK722 GLTIVGSVIQ 732 GSFLESYGEA742 QAAEQTIKNM752 MEIEKVKGFC762 QVVVASKVRE772 GLAHLIQSCG 782 LGGMRHNSVV792 LGWPYGWRQS802 EDPRAWKTFI812 DTVRCTTAAH822 LALLVPKNIA 832 FYPSNHERYL842 EGHIDVWWIV852 HDGGMLMLLP862 FLLRQHKVWR872 KCRMRIFTVN 887 SIQMKKDLAV897 FLYHLRLEAE907 VEVVEMHNSD917 ISAYTYERTL927 MMEQRSQMLR 937 QMRLPDQSNV1016 RRMHTAVKLN1026 EVIVTRSHDA1036 RLVLLNMPGP1046 PRNSEGDENY 1056 MEFLEVLTEG1066 LERVLLVRGG1076 GREVI> Chain B PSMGTLMGVY 125 LPCLQNIFGV135 ILFLRLTWMV145 GTAGVLQALL155 IVLICCCCTL165 LTAISMSAIA 175 TNGVVPAGGS185 YFMISRSLGP195 EFGGAVGLCF205 YLGTTFAAAM215 YILGAIEILL 225 TYIAPPAASN245 ATLNNMRVYG255 TIFLTFMTLV265 VFVGVKYVNK275 FASLFLACVI 285 ISILSIYAGG295 IKSIFDPPVF305 PVCMLGNRTL315 SRDQFDICAK325 TAVVDNETVA 335 TQLWSFFCHS345 PNLTTDSCDP355 YFMLNNVTEI365 PGIPGAAAGV375 LQENLWSAYL 385 EKGDIVEKHG395 LPSADAPSLK405 ESLPLYVVAD415 IATSFTVLVG425 IFFPSVTGIM 435 AGSNRSGDLR445 DAQKSIPVGT455 ILAIITTSLV465 YFSSVVLFGA475 CIEGVVLRDK 485 YGDGVSRNLV495 VGTLAWPSPW505 VIVIGSFFST515 CGAGLQSLTG525 APRLLQAIAK 535 DNIIPFLRVF545 GHGKVNGEPT555 WALLLTALIA565 ELGILIASLD575 MVAPILSMFF 585 LMCYLFVNLA595 CAVQTLLRTP605 NWRPRFKYYH615 WALSFLGMSL625 CLALMFVSSW 635 YYALVAMLIA645 GMIYKYIEYQ655 GAEKEWGDGI665 RGLSLSAARY675 ALLRLEEGPP 685 HTKNWRPQLL695 VLLKLDEDLH705 VKYPRLLTFA715 SQLKAGKGLT725 IVGSVIQGFL 736 ESYGEAQAAE746 QTIKNMMEIE756 KVKGFCQVVV766 ASKVREGLAH776 LIQSCGLGGM 786 RHNSVVLGWP796 YGWRQSEDPR806 AWKTFIDTVR816 CTTAAHLALL826 VPKNIAFYPS 836 NHERYLEGHI846 DVWWIVHDGG856 MLMLLPFLLR866 QHKVWRKCRM876 RIFTVDDNSI 889 QMKKDLAVFL899 YHLRLEAEVE909 VVEMHNSDIS919 AYTYERTSNV1016 RRMHTAVKLN 1026 EVIVTRSHDA1036 RLVLLNMPGP1046 PRNSEGDENY1056 MEFLEVLTEG1066 LERVLLVRGG 1076 GREVI
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LEU697[A]
3.352
LEU698[A]
2.915
LYS699[A]
3.145
LEU700[A]
4.934
LYS707[A]
3.079
TYR708[A]
2.875
SER729[A]
4.313
VAL730[A]
3.449
VAL770[A]
3.377
LEU774[A]
3.991
LEU793[A]
3.610
GLY794[A]
3.108
TRP795[A]
2.812
PRO796[A]
3.288
TYR797[A]
2.561
ALA807[A]
3.125
TRP808[A]
4.967
THR810[A]
4.747
LEU697[B]
3.100
LEU698[B]
3.020
LYS699[B]
2.455
LYS707[B]
3.587
TYR708[B]
3.020
LEU711[B]
4.933
SER729[B]
4.156
VAL730[B]
3.345
VAL770[B]
3.328
LEU774[B]
4.150
LEU793[B]
3.803
GLY794[B]
3.009
TRP795[B]
3.554
PRO796[B]
3.431
TYR797[B]
2.976
ALA807[B]
3.658
THR810[B]
4.847
PHE811[B]
4.943
|
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| PDB ID: 7AIQ Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Subclass 1) | ||||||
| Method | Electron microscopy | Resolution | 3.72 Å | Mutation | No | [1] |
| PDB Sequence |
PSMGTLMGVY
125 LPCLQNIFGV135 ILFLRLTWMV145 GTAGVLQALL155 IVLICCCCTL165 LTAISMSAIA 175 TNGVVPAGGS185 YFMISRSLGP195 EFGGAVGLCF205 YLGTTFAAAM215 YILGAIEILL 225 TYIAPPAASN245 ATLNNMRVYG255 TIFLTFMTLV265 VFVGVKYVNK275 FASLFLACVI 285 ISILSIYAGG295 IKSIFDPPVF305 PVCMLGNRTL315 SRDQFDICAK325 TAVVDNETVA 335 TQLWSFFCHS345 PNLTTDSCDP355 YFMLNNVTEI365 PGIPGAAAGV375 LQENLWSAYL 385 EKGDIVEKHG395 LPSADAPSLK405 ESLPLYVVAD415 IATSFTVLVG425 IFFPSVTGIM 435 AGSNRSGDLR445 DAQKSIPVGT455 ILAIITTSLV465 YFSSVVLFGA475 CIEGVVLRDK 485 YGDGVSRNLV495 VGTLAWPSPW505 VIVIGSFFST515 CGAGLQSLTG525 APRLLQAIAK 535 DNIIPFLRVF545 GHGKVNGEPT555 WALLLTALIA565 ELGILIASLD575 MVAPILSMFF 585 LMCYLFVNLA595 CAVQTLLRTP605 NWRPRFKYYH615 WALSFLGMSL625 CLALMFVSSW 635 YYALVAMLIA645 GMIYKYIEYQ655 GAEKEWGDGI665 RGLSLSAARY675 ALLRLEEGPP 685 HTKNWRPQLL695 VLLKLDEDLH705 VKYPRLLTFA715 SQLKAGKGLT725 IVGSVIQGSF 735 LESYGEAQAA745 EQTIKNMMEI755 EKVKGFCQVV765 VASKVREGLA775 HLIQSCGLGG 785 MRHNSVVLGW795 PYGWRQSEDP805 RAWKTFIDTV815 RCTTAAHLAL825 LVPKNIAFYP 835 SNHERYLEGH845 IDVWWIVHDG855 GMLMLLPFLL865 RQHKVWRKCR875 MRIFTVAQMD 885 DNSIQMKKDL895 AVFLYHLRLE905 AEVEVVEMHN915 SDISAYTYER925 TLMMEQRPDQ 1013 SNVRRMHTAV1023 KLNEVIVTRS1033 HDARLVLLNM1043 PGPPRNSEGD1053 ENYMEFLEVL 1063 TEGLERVLLV1073 RGGGREVI
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. EMBO J. 2021 Jul 15;40(14):e107294. | ||||
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