Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | PDB:7AIP | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | PDB:7AIP | ||||
| 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-Cyclopropyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide | Ligand Info | |||||
| Structure Description | Human KCC1 bound with VU0463271 In an outward-open state | PDB:7TTI | ||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | No | [2] |
| PDB Sequence |
APSMGTLMGV
124 YLPCLQNIFG134 VILFLRLTWM144 VGTAGVLQAL154 LIVLICCCCT164 LLTAISMSAI 174 ATNGVVPAGG184 SYFMISRSLG194 PEFGGAVGLC204 FYLGTTFAAA214 MYILGAIEIL 224 LTYIAPPAAI234 FYPSGAHDTS244 NATLNNMRVY254 GTIFLTFMTL264 VVFVGVKYVN 274 KFASLFLACV284 IISILSIYAG294 GIKSIFDPPV304 FPVCMLGNRT314 LSRDQFDICA 324 KTAVVDNETV334 ATQLWSFFCH344 SPNLTTDSCD354 PYFMLNNVTE364 IPGIPGAAAG 374 VLQENLWSAY384 LEKGDIVEKH394 GLPSADAPSL404 KESLPLYVVA414 DIATSFTVLV 424 GIFFPSVTGI434 MAGSNRSGDL444 RDAQKSIPVG454 TILAIITTSL464 VYFSSVVLFG 474 ACIEGVVLRD484 KYGDGVSRNL494 VVGTLAWPSP504 WVIVIGSFFS514 TCGAGLQSLT 524 GAPRLLQAIA534 KDNIIPFLRV544 FGHGKVNGEP554 TWALLLTALI564 AELGILIASL 574 DMVAPILSMF584 FLMCYLFVNL594 ACAVQTLLRT604 PNWRPRFKYY614 HWALSFLGMS 624 LCLALMFVSS634 WYYALVAMLI644 AGMIYKYIEY654 QG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JUX or .JUX2 or .JUX3 or :3JUX;style chemicals stick;color identity;select .A:135 or .A:136 or .A:139 or .A:140 or .A:212 or .A:215 or .A:216 or .A:219 or .A:220 or .A:222 or .A:223 or .A:226 or .A:227 or .A:429 or .A:432 or .A:515 or .A:578 or .A:581 or .A:582 or .A:585; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL135
2.846
ILE136
3.985
LEU139
2.877
ARG140
3.465
ALA212
3.594
MET215
2.926
TYR216
2.832
GLY219
3.821
ALA220
4.992
GLU222
2.459
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| Ligand Name: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol | Ligand Info | |||||
| Structure Description | human KCC1 structure determined in KCl and detergent GDN | PDB:6KKR | ||||
| Method | Electron microscopy | Resolution | 2.90 Å | Mutation | No | [3] |
| PDB Sequence |
PSMGTLMGVY
125 LPCLQNIFGV135 ILFLRLTWMV145 GTAGVLQALL155 IVLICCCCTL165 LTAISMSAIA 175 TNGVVPAGGS185 YFMISRSLGP195 EFGGAVGLCF205 YLGTTFAAAM215 YILGAIEILL 225 TYIAPPAAIF235 YPSGAHDTSN245 ATLNNMRVYG255 TIFLTFMTLV265 VFVGVKYVNK 275 FASLFLACVI285 ISILSIYAGG295 IKSIFDPPVF305 PVCMLGNRTL315 SRDQFDICAK 325 TAVVDNETVA335 TQLWSFFCHS345 PNLTTDSCDP355 YFMLNNVTEI365 PGIPGAAAGV 375 LQENLWSAYL385 EKGDIVEKHG395 LPSADAPSLK405 ESLPLYVVAD415 IATSFTVLVG 425 IFFPSVTGIM435 AGSNRSGDLR445 DAQKSIPVGT455 ILAIITTSLV465 YFSSVVLFGA 475 CIEGVVLRDK485 YGDGVSRNLV495 VGTLAWPSPW505 VIVIGSFFST515 CGAGLQSLTG 525 APRLLQAIAK535 DNIIPFLRVF545 GHGKVNGEPT555 WALLLTALIA565 ELGILIASLD 575 MVAPILSMFF585 LMCYLFVNLA595 CAVQTLLRTP605 NWRPRFKYYH615 WALSFLGMSL 625 CLALMFVSSW635 YYALVAMLIA645 GMIYKYI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DU0 or .DU02 or .DU03 or :3DU0;style chemicals stick;color identity;select .A:203 or .A:206 or .A:207 or .A:211 or .A:542 or .A:560 or .A:564 or .A:567 or .A:571 or .A:576 or .A:580 or .A:584 or .A:637; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. EMBO J. 2021 Jul 15;40(14):e107294. | ||||
| REF 2 | Structure of the human cation-chloride cotransport KCC1 in an outward-open state. Proc Natl Acad Sci U S A. 2022 Jul 5;119(27):e2109083119. | ||||
| REF 3 | Cryo-EM structures of the human cation-chloride cotransporter KCC1. Science. 2019 Oct 25;366(6464):505-508. | ||||
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