Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T92076 | Target Info | |||
| Target Name | Extracellular calcium-sensing receptor (CASR) | ||||
| Synonyms | hCasR; Parathyroid cell calciumreceptor; Parathyroid cell calcium-sensing receptor 1; Parathyroid calcium receptor; Parathyroid Cell calcium-sensing receptor; PCaR1; GPRC2A; CaSR | ||||
| Target Type | Successful Target | ||||
| Gene Name | CASR | ||||
| Biochemical Class | GPCR glutamate | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C | ||||
| InChI | 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 | ||||
| InChIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N | ||||
| PubChem Compound ID | 5997 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7SIL Structure of positive allosteric modulator-bound active human calcium-sensing receptor | ||||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
GPDQRAQKKG
30 DIILGGLFPI40 HFGVAAKDQD50 LKSRPESVEC60 IRYNFRGFRW70 LQAMIFAIEE 80 INSSPALLPN90 LTLGYRIFDT100 CNTVSKALEA110 TLSFVAQNKI120 DSLIPSTIAV 141 VGATGSGVST151 AVANLLGLFY161 IPQVSYASSS171 RLLSNKNQFK181 SFLRTIPNDE 191 HQATAMADII201 EYFRWNWVGT211 IAADDDYGRP221 GIEKFREEAE231 ERDICIDFSE 241 LISQYSDEEE251 IQHVVEVIQN261 STAKVIVVFS271 SGPDLEPLIK281 EIVRRNITGK 291 IWLASEAWAS301 SSLIAMPQYF311 HVVGGTIGFA321 LKAGQIPGFR331 EFLKKVHPRK 341 SVHNGFAKEF351 WEETFNCHLR392 PLCTGDENIS402 SVETPYIDYT412 HLRISYNVYL 422 AVYSIAHALQ432 DIYTCLPGRG442 LFTNGSCADI452 KKVEAWQVLK462 HLRHLNFTNN 472 MGEQVTFDEC482 GDLVGNYSII492 NWHLSPEDGS502 IVFKEVGYYN512 VYAKKGERLF 522 INEEKILWSG532 FSREVPFSNC542 SRDCLAGTRK552 GIIEGEPTCC562 FECVECPDGE 572 YSDETDASAC582 NKCPDDFWSN592 ENHTSCIAKE602 IEFLSWTEPF612 GIALTLFAVL 622 GIFLTAFVLG632 VFIKFRNTPI642 VKATNRELSY652 LLLFSLLCCF662 SSSLFFIGEP 672 QDWTCRLRQP682 AFGISFVLCI692 SCILVKTNRV702 LNLQFLLVFL730 CTFMQIVICV 740 IWLYTAPPSS750 YRNQELEDEI760 IFITCHEGSL770 MALGFLIGYT780 CLLAAICFFF 790 AFKSRKLPEN800 FNEAKFITFS810 MLIFFIVWIS820 FIPAYASTYG830 KFVSAVEVIA 840 ILAASFGLLA850 CIFFNKIYII860 L
|
|||||
|
|
PHE612
4.270
CYS781
3.711
ALA785
3.547
PHE788
3.415
PHE789
3.979
PHE792
3.311
ARG795
4.893
PHE806
3.507
PHE809
4.291
LEU812
3.591
ILE813
3.541
PHE815
4.068
ILE816
3.551
VAL817
4.619
|
|||||
| PDB ID: 7SIM Structure of positive allosteric modulator-free active human calcium-sensing receptor | ||||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
GPDQRAQKKG
30 DIILGGLFPI40 HFGVAAKDQD50 LKSRPESVEC60 IRYNFRGFRW70 LQAMIFAIEE 80 INSSPALLPN90 LTLGYRIFDT100 CNTVSKALEA110 TLSFVAQNKI120 DSLIPSTIAV 141 VGATGSGVST151 AVANLLGLFY161 IPQVSYASSS171 RLLSNKNQFK181 SFLRTIPNDE 191 HQATAMADII201 EYFRWNWVGT211 IAADDDYGRP221 GIEKFREEAE231 ERDICIDFSE 241 LISQYSDEEE251 IQHVVEVIQN261 STAKVIVVFS271 SGPDLEPLIK281 EIVRRNITGK 291 IWLASEAWAS301 SSLIAMPQYF311 HVVGGTIGFA321 LKAGQIPGFR331 EFLKKVHPRK 341 SVHNGFAKEF351 WEETFNCHLR392 PLCTGDENIS402 SVETPYIDYT412 HLRISYNVYL 422 AVYSIAHALQ432 DIYTCLPGRG442 LFTNGSCADI452 KKVEAWQVLK462 HLRHLNFTNN 472 MGEQVTFDEC482 GDLVGNYSII492 NWHLSPEDGS502 IVFKEVGYYN512 VYAKKGERLF 522 INEEKILWSG532 FSREVPFSNC542 SRDCLAGTRK552 GIIEGEPTCC562 FECVECPDGE 572 YSDETDASAC582 NKCPDDFWSN592 ENHTSCIAKE602 IEFLSWTEPF612 GIALTLFAVL 622 GIFLTAFVLG632 VFIKFRNTPI642 VKATNRELSY652 LLLFSLLCCF662 SSSLFFIGEP 672 QDWTCRLRQP682 AFGISFVLCI692 SCILVKTNRV702 LNLQFLLVFL730 CTFMQIVICV 740 IWLYTAPPSS750 YRNQELEDEI760 IFITCHEGSL770 MALGFLIGYT780 CLLAAICFFF 790 AFKSRKLPEN800 FNEAKFITFS810 MLIFFIVWIS820 FIPAYASTYG830 KFVSAVEVIA 840 ILAASFGLLA850 CIFFNKIYII860 L
|
|||||
|
|
PHE612
3.533
CYS781
4.632
ALA785
3.835
PHE788
3.570
PHE789
3.487
PHE792
3.272
PHE806
3.765
PHE809
3.522
LEU812
3.488
ILE813
3.580
PHE815
4.086
ILE816
3.608
VAL817
3.583
ILE819
4.108
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Symmetric activation and modulation of the human calcium-sensing receptor. Proc Natl Acad Sci U S A. 2021 Dec 21;118(51):e2115849118. | ||||
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