TAAR 1 model clustering

TAAR1 Homology Models were built using Modeller based on X-ray crystal structures of beta2-adrenergic receptor (b2AR) representing the inactive state (2RH1) and active state (3P0G).

The alignment between TAAR and b2AR was generating by multiple sequence alignment by Clustal Omega. Please see below.

Taar models can be accesed using this link: https://drive.google.com/drive/folders/1h_-wl5znfH9ngOUz0IMRg9hITmRUYLi4?usp=sharing

TAAR1 Multiple Sequence Alignment:

All of these GPCRs are from human

TAAR6 --------------------------MSSNSSLLVAV-QLCYANVNGSCVKIPFSPGSRV 33

TAAR8 --------------------------MTSN-FSQPVV-QLCYEDVNGSCIETPYSPGSRV 32

TAAR1 -----------------------------------MM-PFCHNIINISCVKNNWSNDVRA 24

TAAR2 -------MAVSS--EQH---EL---SHFKRTQTKKEK-FNCSEYGNRSCPENERSLGVRV 44

5HT1D ----------MSPLNQSA-EGLPQEA-SNRSLNA---------TETSEAWDPRTLQALKI 39

DRD1 ----------------------------MRTLNTSAMDG-------TGLVV-ERDFSVRI 24

HRH2 ------------------------------------MAPNGTASS----FC-LDSTACKI 19

ADRB2 ---------MGQPGNGSAF------------LLA----PNGSHAPDHDVTQ-ERDEVWVV 34

ADRB1 MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPE-PLSQQWTA 59

TAAR6 ILYIVFGFGAVLAVFGNLLVMISILHFKQLH-SPTNFLVASLACADFLVGVTVMPFSMVR 92

TAAR8 ILYTAFSFGSLLAVFGNLLVMTSVLHFKQLH-SPTNFLIASLACADFLVGVTVMLFSMVR 91

TAAR1 SLYSLMVLIILTTLVGNLIVIVSISHFKQLH-TPTNWLIHSMATVDFLLGCLVMPYSMVR 83

TAAR2 AMYSFMAGSIFITIFGNLAMIISISYFKQLH-TPTNFLILSMAITDFLLGFTIMPYSMIR 103

5HT1D SLAVVLSVITLATVLSNAFVLTTILLTRKLH-TPANYLIGSLATTDLLVSILVMPISIAY 98

DRD1 LTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVSDLLVAVLVMPWKAVA 84

HRH2 TITVVLAVLILITVAGNVVVCLAVGLNRRLR-NLTNCFIVSLAITDLLLGLLVLPFSAIY 78

ADRB2 GMGIVMSLIVLAIVFGNVLVITAIAKFERLQ-TVTNYFITSLACADLVMGLAVVPFGAAH 93

ADRB1 GMGLLMALIVLLIVAGNVLVIVAIAKTPRLQ-TLTNLFIMSLASADLVMGLLVVPFGATI 118

: . : .* : :: :*: . :* :: *:* *:::. ::

TAAR6 TVESCWYFGRSFCTFHTCCDVAFCYSSLFHLCFISIDRYIAVTDPLVYPTKFTVSVSGIC 152

TAAR8 TVESCWYFGAKFCTLHSCCDVAFCYSSVLHLCFICIDRYIVVTDPLVYATKFTVSVSGIC 151

TAAR1 SAEHCWYFGEVFCKIHTSTDIMLSSASIFHLSFISIDRYYAVCDPLRYKAKMNILVICVM 143

TAAR2 SVENCWYFGLTFCKIYYSFDLMLSITSIFHLCSVAIDRFYAICYPLLYSTKITIPVIKRL 163

5HT1D TITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATM 158

DRD1 EIAGFWPFGS-FCNIWVAFDIMCSTASILNLCVISVDRYWAISSPFRYERKMTPKAAFIL 143

HRH2 QLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAIS 138

ADRB2 ILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVI 153

ADRB1 VVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGL 178

* :* * : . *: :*: * :.:**: .: : * .

TAAR6 ISVSWILPLMYSGAVFYTGVYDDGLEELS-----DALNCIGGCQTVVNQNWVLTDFL-SF 206

TAAR8 ISVSWILPLTYSGAVFYTGVNDDGLEELV-----SALNCVGGCQIIVSQGWVLIDFL-LF 205

TAAR1 IFISWSVPAVFAFGMIFLELNFKGAEEIY---Y-KHVHCRGGCSVFFSKISGVLTFMTSF 199

TAAR2 LLLCWSVPGAFAFGVVFSEAYADGI-EGY---D-ILVACSSSCPVMFNKLWGTTLFMAGF 218

5HT1D IAIVWAISICISIPPLF--WRQAKAQEE----------MSDCLVNTSQISYTIYSTCGAF 206

DRD1 ISVAWTLSVLISFIPVQLSWHKAKPTSPSDGNATSLAETIDNCDSSLSRTYAISSSVISF 203

HRH2 LVLIWVISITLSFLSIHLGWNSRNET--SKGNH-----TTSKCKVQVNEVYGLVDGLVTF 191

ADRB2 ILMVWIVSGLTSFLPIQMHWYRATHQEAINCYA-----NETCCDFFTNQAYAIASSIVSF 208

ADRB1 VCTVWAISALVSFLPILMHWWRAESDEARRCYN-----DPKCCDFVTNRAYAIASSVVSF 233

: * : : . . *

TAAR6 FIPTFIMIILYGNIFLVARRQAKKIENTGSKT---------------------------- 238

TAAR8 FIPTLVMIILYSKIFLIAKQQAIKIETTSSKV---------------------------- 237

TAAR1 YIPGSIMLCVYYRIYLIAKEQARLISDANQKL---------------------------- 231

TAAR2 FTPGSMMVGIYGKIFAVSRKHAHAINNLREN----------------------------- 249

5HT1D YIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSH 266

DRD1 YIPVAIMIVTYTRIYRIAQKQIRRIAALERA-AVHAKNCQTTTGNGK------PVE---- 252

HRH2 YLPLLIMCITYYRIFKVARDQAKRINHIS------------------------------- 220

ADRB2 YVPLVIMVFVYSRVFQEAKRQLQKIDKSEGR-FHVQNLSQV------------------- 248

ADRB1 YVPLCIMAFVYLRVFREAQKQVKKIDSCERR-FLGGPARPPSP-SPS------PVPAPAP 285

: * :: * .:: :: :

TAAR6 --------------------ESSSESYKARVARRERKAAKTLGVTVVAFMISWLPYSIDS 278

TAAR8 --------------------ESSSESYKIRVAKRERKAAKTLGVTVLAFVISWLPYTVDI 277

TAAR1 --------------------QIGLEMKNGISQSKERKAVKTLGIVMGVFLICWCPFFICT 271

TAAR2 ---------------------------QNNQVKKDKKAAKTLGIVIGVFLLCWFPCFFTI 282

5HT1D SAGSPLFFN-----HVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVS 321

DRD1 --------------------CSQPESSFKMSFKRETKVLKTLSVIMGVFVCCWLPFFILN 292

HRH2 --------------------------SWKAATIREHKATVTLAAVMGAFIICWFPYFTAF 254

ADRB2 ---------------EQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVN 293

ADRB1 PPGPPRPAAAAATAPLANGRAG-KRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLAN 344

:: *. *. : .* .* *

TAAR6 LIDAFMG------FITPACIYEICCWCAYYNSAMNPLIYALFYPWFRKAIKVIVTGQVLK 332

TAAR8 LIDAFMG------FLTPAYIYEICCWSAYYNSAMNPLIYALFYPWFRKAIKLILSGDVLK 331

TAAR1 VMDPFLH------YIIPPTLNDVLIWFGYLNSTFNPMVYAFFYPWFRKALKMMLFGKIFQ 325

TAAR2 LLDPFLN------FSTPVVLFDALTWFGYFNSTCNPLIYGFFYPWFRRALKYILLGKIFS 336

5HT1D LVLPICRDS----CWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS 377

DRD1 CILPFCGSGETQPFCIDSNTFDVFVWFGWANSSLNPIIYAF-NADFRKAFSTLLGCYRLC 351

HRH2 VYRGLRGDD-----AINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLAN 309

ADRB2 IVHVIQD-N-----LIRKEVYILLNWIGYVNSGFNPLIYCR-SPDFRIAFQELLCLRRSS 346

ADRB1 VVKAFHR-E-----LVPDRLFVFFNWLGYANSAFNPIIYCR-SPDFRKAFQRLLCCARRA 397

: * .: ** **::* ** . . :.

TAAR6 NSSATMNLFSEHI----------------------------------------------- 345

TAAR8 ASSSTISLFLE------------------------------------------------- 342

TAAR1 KDSSRCKLFLELSS---------------------------------------------- 339

TAAR2 SCFHNTILCMQKESE--------------------------------------------- 351

5HT1D ------------------------------------------------------------ 377

DRD1 PATNNAIETVSINNNGAAMFSSHHEPRGSISKECNLVYLIPHAVGSSEDLKKEEAAGIAR 411

HRH2 RNSHKT----SLRSNASQL--S-------------RTQSREPR------QQE------E- 337

ADRB2 LKAYGN----GYSSNGNTGEQS-----G-----YHVEQ-----------EKENKLLCEDL 381

ADRB1 ARRRHA-------THGDRPRAS-----G-----CLARPGPPPSPGAASDDDDDDVVGATP 440

TAAR6 --------------------------------------- 345

TAAR8 --------------------------------------- 342

TAAR1 --------------------------------------- 339

TAAR2 --------------------------------------- 351

5HT1D --------------------------------------- 377

DRD1 PLEKLSPALSVI--LDYDTDVSLEKIQPITQNGQHPT-- 446

HRH2 KPLKLQVWSGTEVTAPQGATDR----------------- 359

ADRB2 P--GTEDFVGHQGTVPSDNIDSQGR--NCSTND---SLL 413

ADRB1 PARLLEPWAGCNGGAAADSDSSLDE--PCRPGFASESKV 477