Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC | ||||
| InChI | 1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 | ||||
| InChIKey | WTJKGGKOPKCXLL-VYOBOKEXSA-N | ||||
| PubChem Compound ID | 5497103 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7DSV Structure of a human NHE1-CHP1 complex under pH 6.5 | ||||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | Yes | [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 RSINEEIHTQ525 FLDHLLTGIE535 DICGHYGHHH545 WKDKLNRFNK 555 KYV
|
|||||
|
|
THR101
3.648
PRO102
3.832
ILE105
3.635
SER106
3.775
ILE109
3.917
LEU140
4.012
LEU141
3.888
GLY144
3.553
LEU145
4.300
LYS147
4.003
GLY148
4.191
PRO154
4.206
PHE155
3.975
GLN157
3.979
VAL160
3.650
LEU163
4.493
PHE164
3.521
LEU165
4.411
PRO167
4.519
PRO168
4.122
LEU171
3.588
PHE182
4.243
LEU265
4.469
VAL306
4.517
VAL310
3.687
PHE335
3.791
SER338
3.550
TYR339
3.575
MET354
3.645
LEU356
4.714
ILE357
4.226
ALA358
4.227
VAL361
4.080
VAL362
3.784
TRP386
3.462
VAL389
4.418
LEU393
3.639
PHE397
3.886
THR402
4.174
VAL403
4.325
HIS407
3.698
TRP409
4.220
THR482
4.646
ILE485
4.626
THR486
3.940
PHE489
3.862
PHE490
4.306
PHE493
4.002
VAL494
4.772
|
|||||
| PDB ID: 7DSW Structure of a human NHE1-CHP1 complex under pH 7.5 | ||||||
| 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
|
|||||
|
|
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
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure and mechanism of the human NHE1-CHP1 complex. Nat Commun. 2021 Jun 9;12(1):3474. | ||||
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