Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T82028 | Target Info | |||
| Target Name | Sodium/hydrogen exchanger 1 (SLC9A1) | ||||
| Synonyms | Solute carrier family 9 member 1; Na+/H+ antiporter, amiloride-sensitive; Na(+)Sodium/hydrogen exchanger 1/H(+) exchanger 1; Na(+)/H(+) exchanger 1; Na(+)/H(+) antiporter, amiloride-sensitive; NHE1; NHE-1; Myocardial Na+/H+ exchanger; APNH1; APNH | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | SLC9A1 | ||||
| Biochemical Class | Monovalent cation:proton antiporter-1 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cariporide | Ligand Info | |||||
| Structure Description | Structure of a human NHE1-CHP1 complex under pH 7.5, bound by cariporide | PDB:7DSX | ||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
PRKAFPVLGI
94 DYTHVRTPFE104 ISLWILLACL114 MKIGFHVIPT124 ISSIVPESCL134 LIVVGLLVGG 144 LIKGVGETPP154 FLQSDVFFLF164 LLPPIILDAG174 YFLPLRQFTE184 NLGTILIFAV 194 VGTLWNAFFL204 GGLMYAVCLV214 GGEQINNIGL224 LDNLLFGSII234 SAVDPVAVLA 244 VFEEIHINEL254 LHILVFGESL264 LNDAVTVVLY274 HLFEEFANYE284 HVGIVDIFLG 294 FLSFFVVALG304 GVLVGVVYGV314 IAAFTSRFTS324 HIRVIEPLFV334 FLYSYMAYLS 344 AELFHLSGIM354 ALIASGVVMR364 PYVEANISHK374 SHTTIKYFLK384 MWSSVSETLI 394 FIFLGVSTVA404 GSHHWNWTFV414 ISTLLFCLIA424 RVLGVLGLTW434 FINKFRIVKL 444 TPKDQFIIAY454 GGLRGAIAFS464 LGYLLDKKHF474 PMCDLFLTAI484 ITVIFFTVFV 494 QGMTIRPLVD504 LLAVKKKQET514 KRSINEEIHT524 QFLDHLLTGI534 EDICGHYGHH 544 HWKDKLNRFN554 KKYVKKCLIA564 GERSKEPQLI574 AFYHKMEMKQ584 AIELVESGG |
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| Ligand Name: (1s)-2-{[{[(2r)-2,3-Dihydroxypropyl]oxy}(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl Stearate | Ligand Info | |||||
| Structure Description | Structure of a human NHE1-CHP1 complex under pH 7.5, bound by cariporide | PDB:7DSX | ||||
| Method | Electron microscopy | Resolution | 3.50 Å | Mutation | Yes | [1] |
| PDB Sequence |
PRKAFPVLGI
94 DYTHVRTPFE104 ISLWILLACL114 MKIGFHVIPT124 ISSIVPESCL134 LIVVGLLVGG 144 LIKGVGETPP154 FLQSDVFFLF164 LLPPIILDAG174 YFLPLRQFTE184 NLGTILIFAV 194 VGTLWNAFFL204 GGLMYAVCLV214 GGEQINNIGL224 LDNLLFGSII234 SAVDPVAVLA 244 VFEEIHINEL254 LHILVFGESL264 LNDAVTVVLY274 HLFEEFANYE284 HVGIVDIFLG 294 FLSFFVVALG304 GVLVGVVYGV314 IAAFTSRFTS324 HIRVIEPLFV334 FLYSYMAYLS 344 AELFHLSGIM354 ALIASGVVMR364 PYVEANISHK374 SHTTIKYFLK384 MWSSVSETLI 394 FIFLGVSTVA404 GSHHWNWTFV414 ISTLLFCLIA424 RVLGVLGLTW434 FINKFRIVKL 444 TPKDQFIIAY454 GGLRGAIAFS464 LGYLLDKKHF474 PMCDLFLTAI484 ITVIFFTVFV 494 QGMTIRPLVD504 LLAVKKKQET514 KRSINEEIHT524 QFLDHLLTGI534 EDICGHYGHH 544 HWKDKLNRFN554 KKYVKKCLIA564 GERSKEPQLI574 AFYHKMEMKQ584 AIELVESGG |
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GLU104
3.920
ILE105
3.555
TRP108
3.434
ILE109
3.540
PRO154
4.102
VAL160
3.658
LEU163
4.434
PHE164
3.539
LEU165
3.854
PRO167
4.632
PRO168
4.442
LEU171
4.612
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| Ligand Name: 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine | Ligand Info | |||||
| Structure Description | Structure of a human NHE1-CHP1 complex under pH 7.5 | PDB:7DSW | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | No | [1] |
| PDB Sequence |
KAFPVLGIDY
96 THVRTPFEIS106 LWILLACLMK116 IGFHVIPTIS126 SIVPESCLLI136 VVGLLVGGLI 146 KGVGETPPFL156 QSDVFFLFLL166 PPIILDAGYF176 LPLRQFTENL186 GTILIFAVVG 196 TLWNAFFLGG206 LMYAVCLVGG216 EQINNIGLLD226 NLLFGSIISA236 VDPVAVLAVF 246 EEIHINELLH256 ILVFGESLLN266 DAVTVVLYHL276 FEEFANYEHV286 GIVDIFLGFL 296 SFFVVALGGV306 LVGVVYGVIA316 AFTSRFTSHI326 RVIEPLFVFL336 YSYMAYLSAE 346 LFHLSGIMAL356 IASGVVMRPY366 VEANISHKSH376 TTIKYFLKMW386 SSVSETLIFI 396 FLGVSTVAGS406 HHWNWTFVIS416 TLLFCLIARV426 LGVLGLTWFI436 NKFRIVKLTP 446 KDQFIIAYGG456 LRGAIAFSLG466 YLLDKKHFPM476 CDLFLTAIIT486 VIFFTVFVQG 496 MTIRPLVDLL506
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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 .LBN or .LBN2 or .LBN3 or :3LBN;style chemicals stick;color identity;select .B:101 or .B:102 or .B:105 or .B:106 or .B:109 or .B:140 or .B:141 or .B:144 or .B:154 or .B:155 or .B:157 or .B:160 or .B:163 or .B:164 or .B:165 or .B:167 or .B:168 or .B:335 or .B:339 or .B:386 or .B:389 or .B:393 or .B:397 or .B:402 or .B:403 or .B:407 or .B:409 or .B:482 or .B:485 or .B:486 or .B:489 or .B:490 or .B:493; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR101
3.638
PRO102
3.806
ILE105
3.965
SER106
3.546
ILE109
4.135
LEU140
3.944
LEU141
4.061
GLY144
4.442
PRO154
4.945
PHE155
4.350
GLN157
4.945
VAL160
3.722
LEU163
4.578
PHE164
3.533
LEU165
4.232
PRO167
4.554
PRO168
4.814
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tris(hydroxyethyl)aminomethane | Ligand Info | |||||
| Structure Description | Complex of CaMBR and CaM | PDB:2YGG | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [2] |
| PDB Sequence |
AFALSKDKEE
629 EIRKILRNNL639 QKTRQRLRSY649 NRHTLVADPY659 EEAWNQMLLR669 RQKARQLEQK 679 INNYLT
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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 .TAM or .TAM2 or .TAM3 or :3TAM;style chemicals stick;color identity;select .A:629 or .A:632 or .A:647 or .A:651; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure and mechanism of the human NHE1-CHP1 complex. Nat Commun. 2021 Jun 9;12(1):3474. | ||||
| REF 2 | Structure of human Na+/H+ exchanger NHE1 regulatory region in complex with calmodulin and Ca2+. J Biol Chem. 2011 Nov 25;286(47):40954-61. | ||||
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