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 | Cysteine Sulfenic Acid | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SO | ||||
| InChI | 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
| InChIKey | FXIRVRPOOYSARH-REOHCLBHSA-N | ||||
| PubChem Compound ID | 165339 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5FBK Crystal structure of the extracellular domain of human calcium sensing receptor | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
PDQRAQKKGD
31 IILGGLFPIH41 FGVAAKDQDL51 KSRPESVECI61 RYNFRGFRWL71 QAMIFAIEEI 81 NSSPALLPNL91 TLGYRIFDTC101 NTVSKALEAT111 LSFVAQNKID121 SLNLDEFCNC 131 SEHIPSTIAV141 VGATGSGVST151 AVANLLGLFY161 IPQVSYASSS171 RLLSNKNQFK 181 SFLRTIPNDE191 HQATAMADII201 EYFRWNWVGT211 IAADDDYGRP221 GIEKFREEAE 231 ERDIIDFSEL242 ISQYSDEEEI252 QHVVEVIQNS262 TAKVIVVFSS272 GPDLEPLIKE 282 IVRRNITGKI292 WLASEAWASS302 SLIAMPQYFH312 VVGGTIGFAL322 KAGQIPGFRE 332 FLKKVHPRKS342 VHNGFAKEFW352 EETFNCHLRP393 LCTGDENISS403 VETPYIDYTH 413 LRISYNVYLA423 VYSIAHALQD433 IYTCLPGRGL443 FTNGSCADIK453 KVEAWQVLKH 463 LRHLNFTNNM473 GEQVTFDEGD484 LVGNYSIINW494 HLSPEDGSIV504 FKEVGYYNVY 514 AKKGERLFIN524 EEKILWSGFS534 REVPF
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| PDB ID: 5FBH Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
GPDQRAQKKG
30 DIILGGLFPI40 HFGVAAKDQD50 LKSRPESVEC60 IRYNFRGFRW70 LQAMIFAIEE 80 INSSPALLPN90 LTLGYRIFDT100 CNTVSKALEA110 TLSFVAQNKI120 DSTIAVVGAT 145 GSGVSTAVAN155 LLGLFYIPQV165 SYASSSRLLS175 NKNQFKSFLR185 TIPNDEHQAT 195 AMADIIEYFR205 WNWVGTIAAD215 DDYGRPGIEK225 FREEAEERDI235 IDFSELISQY 246 SDEEEIQHVV256 EVIQNSTAKV266 IVVFSSGPDL276 EPLIKEIVRR286 NITGKIWLAS 296 EAWASSSLIA306 MPQYFHVVGG316 TIGFALKAGQ326 IPGFREFLKK336 VHPRKSVHNG 346 FAKEFWEETF356 NCHLQFRPLC395 TGDENISSVE405 TPYIDYTHLR415 ISYNVYLAVY 425 SIAHALQDIY435 TCLPGRGLFT445 NGSCADIKKV455 EAWQVLKHLR465 HLNFTNNMGE 475 QVTFDEGDLV486 GNYSIINWHL496 SPEDGSIVFK506 EVGYYNVYAK516 KGERLFINEE 526 KILWSGFS
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv. 2016 May 27;2(5):e1600241. | ||||
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