Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T08133 | Target Info | |||
| Target Name | Transient receptor potential cation channel V6 (TRPV6) | ||||
| Synonyms | Transient receptor potential cation channel subfamily V, member 6; TRPV6; HTRP8; ECaC2; Calcium transport protein CaT1; Calcium channel CAT1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TRPV6 | ||||
| Biochemical Class | Transient receptor potential catioin channel | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Cholesterol hemisuccinate | Ligand Info | |||
| Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C | ||||
| InChI | 1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1 | ||||
| InChIKey | WLNARFZDISHUGS-MIXBDBMTSA-N | ||||
| PubChem Compound ID | 65082 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7K4B Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor cis-22a | ||||||
| Method | Electron microscopy | Resolution | 3.10 Å | Mutation | No | [1] |
| PDB Sequence |
WFQRRESWAQ
31 SRDEQNLLQQ41 KRIWESPLLL51 AAKDNDVQAL61 NKLLKYEDCK71 VHQRGAMGET 81 ALHIAALYDN91 LEAAMVLMEA101 APELVFEPMT111 SELYEGQTAL121 HIAVVNQNMN 131 LVRALLARRA141 SVSARATGTA151 FRRSPCNLIY161 FGEHPLSFAA171 CVNSEEIVRL 181 LIEHGADIRA191 QDSLGNTVLH201 ILILQPNKTF211 ACQMYNLLLS221 YDRHGDHLQP 231 LDLVPNHQGL241 TPFKLAGVEG251 NTVMFQHLMQ261 KRKHTQWTYG271 PLTSTLYDLT 281 EIDSSGDEQS291 LLELIITTKK301 REARQILDQT311 PVKELVSLKW321 KRYGRPYFCM 331 LGAIYLLYII341 CFTMCCIYRP351 LKPRTNNRTS361 PRDNTLLQQK371 LLQEAYMTPK 381 DDIRLVGELV391 TVIGAIIILL401 VEVPDIFRMG411 VTPFHVLIIT431 YAFMVLVTMV 441 MRLISASGEV451 VPMSFALVLG461 WCNVMYFARG471 FQMLGPFTIM481 IQKMIFGDLM 491 RFCWLMAVVI501 LGFASAFYII511 FQTEDPEELG521 HFYDYPMALF531 STFELFLTII 541 DGPANYNVDL551 PFMYSITYAA561 FAIIATLLML571 NLLIAMMGDT581 HWRVAHERDE 591 LWRAQIVATT601 VMLERKLPRC611 LWPRSGICGR621 EYGLGDRWFL631 RVEDRQD |
|||||
|
|
LEU332
3.552
ILE335
3.876
TYR336
3.721
TYR339
3.581
VAL391
3.748
ILE394
3.926
GLY395
3.944
ILE398
3.740
ILE399
3.841
VAL402
3.704
GLU403
3.202
PRO424
3.975
PHE425
3.627
HIS426
3.060
|
|||||
| PDB ID: 7K4A Cryo-EM structure of human TRPV6 in the open state | ||||||
| Method | Electron microscopy | Resolution | 3.26 Å | Mutation | No | [1] |
| PDB Sequence |
RRESWAQSRD
34 EQNLLQQKRI44 WESPLLLAAK54 DNDVQALNKL64 LKYEDCKVHQ74 RGAMGETALH 84 IAALYDNLEA94 AMVLMEAAPE104 LVFEPMTSEL114 YEGQTALHIA124 VVNQNMNLVR 134 ALLARRASVS144 ARATGTAFRR154 SPCNLIYFGE164 HPLSFAACVN174 SEEIVRLLIE 184 HGADIRAQDS194 LGNTVLHILI204 LQPNKTFACQ214 MYNLLLSYDR224 HGDHLQPLDL 234 VPNHQGLTPF244 KLAGVEGNTV254 MFQHLMQKRK264 HTQWTYGPLT274 STLYDLTEID 284 SSGDEQSLLE294 LIITTKKREA304 RQILDQTPVK314 ELVSLKWKRY324 GRPYFCMLGA 334 IYLLYIICFT344 MCCIYRPLKP354 RTNNRTSPRD364 NTLLQQKLLQ374 EAYMTPKDDI 384 RLVGELVTVI394 GAIIILLVEV404 PDIFRMGVTR414 PFHVLIITYA433 FMVLVTMVMR 443 LISASGEVVP453 MSFALVLGWC463 NVMYFARGFQ473 MLGPFTIMIQ483 KMIFGDLMRF 493 CWLMAVVILG503 FASAFYIIFQ513 TEDPEELGHF523 YDYPMALFST533 FELFLTIIDG 543 PANYNVDLPF553 MYSITYAAFA563 IIATLLMLNL573 LIAMMGDTHW583 RVAHERDELW 593 RAQIVATTVM603 LERKLPRCLW613 PRSGICGREY623 GLGDRWFLRV633 EDRQD |
|||||
|
|
LEU332
3.743
ILE335
4.595
TYR336
3.575
TYR339
3.635
VAL391
3.852
ILE394
3.922
GLY395
3.812
ILE398
3.752
ILE399
3.689
VAL402
3.490
GLU403
3.039
PRO424
3.554
PHE425
3.061
HIS426
2.989
LEU428
3.858
ILE429
4.474
SER455
3.558
PHE456
3.742
VAL459
3.666
LEU460
4.034
CYS463
4.112
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Inactivation-mimicking block of the epithelial calcium channel TRPV6. Sci Adv. 2020 Nov 27;6(48):eabe1508. | ||||
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