GTPS1_THYVU
ID GTPS1_THYVU Reviewed; 542 AA.
AC A0A0M3Q1Q3;
DT 29-SEP-2021, integrated into UniProtKB/Swiss-Prot.
DT 09-DEC-2015, sequence version 1.
DT 03-AUG-2022, entry version 31.
DE RecName: Full=Gamma-terpinene synthase 1 {ECO:0000303|PubMed:26750479};
DE EC=4.2.3.114 {ECO:0000269|PubMed:26750479};
DE AltName: Full=Alpha-terpinene synthase 1 {ECO:0000303|PubMed:26750479};
DE EC=4.2.3.115 {ECO:0000250|UniProtKB:E2E2P0};
DE AltName: Full=Terpene synthase 1 {ECO:0000303|PubMed:26750479};
DE Short=TvTPS1 {ECO:0000303|PubMed:26750479};
GN Name=TPS1 {ECO:0000303|PubMed:26750479};
OS Thymus vulgaris (Thyme).
OC Eukaryota; Viridiplantae; Streptophyta; Embryophyta; Tracheophyta;
OC Spermatophyta; Magnoliopsida; eudicotyledons; Gunneridae; Pentapetalae;
OC asterids; lamiids; Lamiales; Lamiaceae; Nepetoideae; Mentheae; Thymus.
OX NCBI_TaxID=49992;
RN [1]
RP NUCLEOTIDE SEQUENCE [MRNA], X-RAY CRYSTALLOGRAPHY (1.65 ANGSTROMS),
RP HOMODIMER, FUNCTION, CATALYTIC ACTIVITY, PATHWAY, AND MUTAGENESIS OF
RP ASP-302 AND THR-511.
RC TISSUE=Leaf;
RX PubMed=26750479; DOI=10.1107/s2053230x15023043;
RA Rudolph K., Parthier C., Egerer-Sieber C., Geiger D., Muller Y.A.,
RA Kreis W., Mueller-Uri F.;
RT "Expression, crystallization and structure elucidation of gamma-terpinene
RT synthase from Thymus vulgaris.";
RL Acta Crystallogr. F Struct. Biol. Commun. 72:16-23(2016).
RN [2]
RP REVIEW ON CARVACROL, AND BIOTECHNOLOGY.
RX PubMed=24915411; DOI=10.1080/10408398.2011.653458;
RA Suntres Z.E., Coccimiglio J., Alipour M.;
RT "The bioactivity and toxicological actions of carvacrol.";
RL Crit. Rev. Food Sci. Nutr. 55:304-318(2015).
RN [3]
RP TISSUE SPECIFICITY, AND INDUCTION BY JASMONIC ACID; SALICYLIC ACID AND
RP UV-C.
RX PubMed=28365519; DOI=10.1016/j.plaphy.2017.03.016;
RA Majdi M., Malekzadeh-Mashhady A., Maroufi A., Crocoll C.;
RT "Tissue-specific gene-expression patterns of genes associated with
RT thymol/carvacrol biosynthesis in thyme (Thymus vulgaris L.) and their
RT differential changes upon treatment with abiotic elicitors.";
RL Plant Physiol. Biochem. 115:152-162(2017).
RN [4]
RP REVIEW ON THYMOL, AND BIOTECHNOLOGY.
RX PubMed=29785774; DOI=10.1002/ptr.6109;
RA Salehi B., Mishra A.P., Shukla I., Sharifi-Rad M., Contreras M.D.M.,
RA Segura-Carretero A., Fathi H., Nasrabadi N.N., Kobarfard F.,
RA Sharifi-Rad J.;
RT "Thymol, thyme, and other plant sources: Health and potential uses.";
RL Phytother. Res. 32:1688-1706(2018).
RN [5]
RP REVIEW ON CARVACROL AND THYMOL, AND BIOTECHNOLOGY.
RX PubMed=29874939; DOI=10.1080/14786419.2018.1480618;
RA Wang K., Jiang S., Yang Y., Fan L., Su F., Ye M.;
RT "Synthesis and antifungal activity of carvacrol and thymol esters with
RT heteroaromatic carboxylic acids.";
RL Nat. Prod. Res. 33:1924-1930(2019).
RN [6]
RP REVIEW ON CARVACROL EFFECTS ON COVID-19, AND BIOTECHNOLOGY.
RX PubMed=33664752; DOI=10.3389/fpls.2020.601335;
RA Javed H., Meeran M.F.N., Jha N.K., Ojha S.;
RT "Carvacrol, a plant metabolite targeting viral protease (Mpro) and ACE2 in
RT host cells can be a possible candidate for COVID-19.";
RL Front. Plant Sci. 11:601335-601335(2020).
RN [7]
RP REVIEW ON CARVACROL EFFECTS ON COVID-19, AND BIOTECHNOLOGY.
RX PubMed=32448034; DOI=10.1080/07391102.2020.1772112;
RA Kumar A., Choudhir G., Shukla S.K., Sharma M., Tyagi P., Bhushan A.,
RA Rathore M.;
RT "Identification of phytochemical inhibitors against main protease of COVID-
RT 19 using molecular modeling approaches.";
RL J. Biomol. Struct. Dyn. 4:1-11(2020).
RN [8]
RP REVIEW ON CARVACROL DERIVATIVES, AND BIOTECHNOLOGY.
RX PubMed=30836858; DOI=10.1080/07391102.2019.1590243;
RA Zengin Kurt B., Durdagi S., Celebi G., Ekhteiari Salmas R., Sonmez F.;
RT "Synthesis, anticholinesterase activity and molecular modeling studies of
RT novel carvacrol-substituted amide derivatives.";
RL J. Biomol. Struct. Dyn. 38:841-859(2020).
RN [9]
RP REVIEW ON PLANT ESSENTIAL OILS EFFECTS ON COVID-19, AND BIOTECHNOLOGY.
RX PubMed=32834111; DOI=10.1016/j.molstruc.2020.128823;
RA Kulkarni S.A., Nagarajan S.K., Ramesh V., Palaniyandi V., Selvam S.P.,
RA Madhavan T.;
RT "Computational evaluation of major components from plant essential oils as
RT potent inhibitors of SARS-CoV-2 spike protein.";
RL J. Mol. Struct. 1221:128823-128823(2020).
RN [10]
RP REVIEW ON PLANT ESSENTIAL OILS EFFECTS ON COVID-19, AND BIOTECHNOLOGY.
RX PubMed=33855010; DOI=10.3389/fchem.2021.642026;
RA Yadalam P.K., Varatharajan K., Rajapandian K., Chopra P., Arumuganainar D.,
RA Nagarathnam T., Sohn H., Madhavan T.;
RT "Antiviral essential oil components against SARS-CoV-2 in pre-procedural
RT mouth rinses for dental settings during COVID-19: A computational study.";
RL Front. Chem. 9:642026-642026(2021).
CC -!- FUNCTION: Involved in the biosynthesis of phenolic monoterpenes natural
CC products thymol and carvacrol which have a broad range of biological
CC activities acting as antimicrobial compounds, insecticides,
CC antioxidants and pharmaceutical agents (PubMed:26750479). Monoterpene
CC synthase which catalyzes the conversion of geranyl diphosphate (GPP) to
CC gamma-terpinene and the minor products alpha-thujene, alpha-terpinene,
CC myrcene, sabinene, (+)-R-limonene, alpha-pinene and alpha-phellandrene
CC (PubMed:26750479). {ECO:0000269|PubMed:26750479}.
CC -!- CATALYTIC ACTIVITY:
CC Reaction=(2E)-geranyl diphosphate = diphosphate + gamma-terpinene;
CC Xref=Rhea:RHEA:32559, ChEBI:CHEBI:10577, ChEBI:CHEBI:33019,
CC ChEBI:CHEBI:58057; EC=4.2.3.114;
CC Evidence={ECO:0000269|PubMed:26750479};
CC PhysiologicalDirection=left-to-right; Xref=Rhea:RHEA:32560;
CC Evidence={ECO:0000269|PubMed:26750479};
CC -!- CATALYTIC ACTIVITY:
CC Reaction=(2E)-geranyl diphosphate = alpha-terpinene + diphosphate;
CC Xref=Rhea:RHEA:32563, ChEBI:CHEBI:10334, ChEBI:CHEBI:33019,
CC ChEBI:CHEBI:58057; EC=4.2.3.115;
CC Evidence={ECO:0000250|UniProtKB:E2E2P0};
CC PhysiologicalDirection=left-to-right; Xref=Rhea:RHEA:32564;
CC Evidence={ECO:0000250|UniProtKB:E2E2P0};
CC -!- COFACTOR:
CC Name=Mn(2+); Xref=ChEBI:CHEBI:29035;
CC Evidence={ECO:0000250|UniProtKB:E2E2P0};
CC Name=Mg(2+); Xref=ChEBI:CHEBI:18420;
CC Evidence={ECO:0000250|UniProtKB:E2E2P0};
CC Note=Binds 3 Mg(2+) or Mn(2+) ions per subunit.
CC {ECO:0000250|UniProtKB:E2E2P0};
CC -!- PATHWAY: Secondary metabolite biosynthesis; terpenoid biosynthesis.
CC {ECO:0000269|PubMed:26750479}.
CC -!- SUBUNIT: Homodimer. {ECO:0000269|PubMed:26750479}.
CC -!- TISSUE SPECIFICITY: Mostly expressed in flowers and, to a lower extent,
CC in leaves, especially in glandular trichomes.
CC {ECO:0000269|PubMed:28365519}.
CC -!- INDUCTION: Induced by jasmonic acid (MeJA), salicylic acid (SA) and UV-
CC C irradiation. {ECO:0000269|PubMed:28365519}.
CC -!- DOMAIN: The Asp-Asp-Xaa-Xaa-Asp/Glu (DDXXD/E) motif is important for
CC the catalytic activity, presumably through binding to Mg(2+).
CC {ECO:0000250|UniProtKB:Q9X839}.
CC -!- BIOTECHNOLOGY: The monoterpenic phenol thymol is widely used as a
CC fragrance and a flavoring ingredient in food and cosmetic industries
CC (PubMed:29785774). Its derivatives have also several biological and
CC pharmacological properties such as antimicrobial, antioxidant,
CC anticarcinogenesis, anti-inflammatory and antispasmodic activities
CC (PubMed:29785774, PubMed:29874939). Medical applications include the
CC treatment of disorders affecting the respiratory, nervous, and
CC cardiovascular systems (PubMed:29785774). It may also act as a growth
CC enhancer and immunomodulator (PubMed:29785774). Thymol may also have
CC antiviral activity toward COVID-19 by binding to the S1 receptor
CC binding domain of the SARS-CoV-2 spike (S) glycoprotein
CC (PubMed:32834111, PubMed:33855010). {ECO:0000303|PubMed:29785774,
CC ECO:0000303|PubMed:29874939, ECO:0000303|PubMed:32834111,
CC ECO:0000303|PubMed:33855010}.
CC -!- BIOTECHNOLOGY: The monoterpenic phenol carvacrol is commonly used as a
CC fragrance and a food flavoring ingredient and preservative
CC (PubMed:24915411). Its derivatives exhibit also various biological and
CC pharmacological properties including antioxidant, antibacterial,
CC antifungal, insecticid, nematicid, anticancer, anti-inflammatory,
CC hepatoprotective, spasmolytic, and vasorelaxant (PubMed:24915411,
CC PubMed:29874939, PubMed:30836858, PubMed:33664752). Phytochemical
CC inhibitor targeting the main SARS-CoV-2 viral protease (Mpro) and ACE2
CC in human host cells, carvacrol is a possible candidate for treating
CC COVID-19 (PubMed:33664752, PubMed:32448034). Carvacrol may also have
CC antiviral activity toward COVID-19 by binding to the S1 receptor
CC binding domain of the SARS-CoV-2 spike (S) glycoprotein
CC (PubMed:32834111, PubMed:33855010). {ECO:0000303|PubMed:24915411,
CC ECO:0000303|PubMed:29874939, ECO:0000303|PubMed:30836858,
CC ECO:0000303|PubMed:32448034, ECO:0000303|PubMed:32834111,
CC ECO:0000303|PubMed:33664752, ECO:0000303|PubMed:33855010}.
CC -!- SIMILARITY: Belongs to the terpene synthase family. {ECO:0000305}.
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DR EMBL; KR920616; ALB78115.1; -; mRNA.
DR PDB; 5C05; X-ray; 1.65 A; A/B=1-542.
DR PDBsum; 5C05; -.
DR SMR; A0A0M3Q1Q3; -.
DR BRENDA; 4.2.3.114; 12984.
DR UniPathway; UPA00213; -.
DR GO; GO:0102903; F:gamma-terpinene synthase activity; IDA:UniProtKB.
DR GO; GO:0000287; F:magnesium ion binding; IEA:InterPro.
DR GO; GO:0042803; F:protein homodimerization activity; IDA:UniProtKB.
DR GO; GO:0010333; F:terpene synthase activity; IEA:InterPro.
DR GO; GO:0016102; P:diterpenoid biosynthetic process; IEA:InterPro.
DR GO; GO:0009753; P:response to jasmonic acid; IEP:UniProtKB.
DR GO; GO:0009751; P:response to salicylic acid; IEP:UniProtKB.
DR GO; GO:0010225; P:response to UV-C; IEP:UniProtKB.
DR CDD; cd00684; Terpene_cyclase_plant_C1; 1.
DR Gene3D; 1.10.600.10; -; 1.
DR Gene3D; 1.50.10.130; -; 1.
DR InterPro; IPR008949; Isoprenoid_synthase_dom_sf.
DR InterPro; IPR044814; Terpene_cyclase_plant_C1.
DR InterPro; IPR001906; Terpene_synth_N.
DR InterPro; IPR036965; Terpene_synth_N_sf.
DR InterPro; IPR005630; Terpene_synthase_metal-bd.
DR InterPro; IPR008930; Terpenoid_cyclase/PrenylTrfase.
DR Pfam; PF01397; Terpene_synth; 1.
DR Pfam; PF03936; Terpene_synth_C; 1.
DR SUPFAM; SSF48239; SSF48239; 1.
DR SUPFAM; SSF48576; SSF48576; 1.
PE 1: Evidence at protein level;
KW 3D-structure; Lyase; Magnesium; Manganese; Metal-binding.
FT CHAIN 1..542
FT /note="Gamma-terpinene synthase 1"
FT /id="PRO_0000453309"
FT REGION 301..307
FT /note="Homodimerization"
FT /evidence="ECO:0000269|PubMed:26750479"
FT REGION 373..410
FT /note="Homodimerization"
FT /evidence="ECO:0000269|PubMed:26750479"
FT MOTIF 295..299
FT /note="DDXXD motif"
FT /evidence="ECO:0000250|UniProtKB:Q9X839"
FT BINDING 295
FT /ligand="Mn(2+)"
FT /ligand_id="ChEBI:CHEBI:29035"
FT /ligand_label="1"
FT /evidence="ECO:0000250|UniProtKB:A0A1C9J6A7"
FT BINDING 295
FT /ligand="Mn(2+)"
FT /ligand_id="ChEBI:CHEBI:29035"
FT /ligand_label="2"
FT /evidence="ECO:0000250|UniProtKB:A0A1C9J6A7"
FT BINDING 299
FT /ligand="Mn(2+)"
FT /ligand_id="ChEBI:CHEBI:29035"
FT /ligand_label="1"
FT /evidence="ECO:0000250|UniProtKB:A0A1C9J6A7"
FT BINDING 299
FT /ligand="Mn(2+)"
FT /ligand_id="ChEBI:CHEBI:29035"
FT /ligand_label="2"
FT /evidence="ECO:0000250|UniProtKB:A0A1C9J6A7"
FT BINDING 439
FT /ligand="Mn(2+)"
FT /ligand_id="ChEBI:CHEBI:29035"
FT /ligand_label="3"
FT /evidence="ECO:0000250|UniProtKB:A0A1C9J6A7"
FT BINDING 447
FT /ligand="Mn(2+)"
FT /ligand_id="ChEBI:CHEBI:29035"
FT /ligand_label="3"
FT /evidence="ECO:0000250|UniProtKB:A0A1C9J6A7"
FT SITE 302
FT /note="Required for gamma-terpinene synthase activity"
FT /evidence="ECO:0000269|PubMed:26750479"
FT SITE 511
FT /note="Required for gamma-terpinene synthase activity"
FT /evidence="ECO:0000269|PubMed:26750479"
FT MUTAGEN 302
FT /note="D->G: Abolished gamma-terpinene synthase activity."
FT /evidence="ECO:0000269|PubMed:26750479"
FT MUTAGEN 511
FT /note="T->A: Reduced gamma-terpinene synthase activity."
FT /evidence="ECO:0000269|PubMed:26750479"
FT HELIX 14..18
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 28..45
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 51..63
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 67..69
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 71..84
FT /evidence="ECO:0007829|PDB:5C05"
FT TURN 85..87
FT /evidence="ECO:0007829|PDB:5C05"
FT STRAND 88..91
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 96..108
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 115..121
FT /evidence="ECO:0007829|PDB:5C05"
FT STRAND 126..129
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 131..135
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 137..147
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 155..174
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 179..190
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 193..195
FT /evidence="ECO:0007829|PDB:5C05"
FT TURN 198..201
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 202..211
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 217..248
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 250..253
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 261..269
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 278..300
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 304..316
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 320..324
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 327..351
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 356..379
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 385..395
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 398..405
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 406..408
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 415..421
FT /evidence="ECO:0007829|PDB:5C05"
FT TURN 422..424
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 426..442
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 456..464
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 468..490
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 499..517
FT /evidence="ECO:0007829|PDB:5C05"
FT HELIX 529..537
FT /evidence="ECO:0007829|PDB:5C05"
SQ SEQUENCE 542 AA; 63274 MW; 723FBA647B4B3015 CRC64;
MRRSGNYQAP VWNNDFIQSF STDKYKDEKF LKKKEELIAQ VKVLLNTKME AVKQLELIED
LRNLGLTYYF EDEFKKILTS IYNEHKGFKN EQVGDLYFTS LAFRLLRLHG FDVSEDVFNF
FKNEDGSDFK ASLGENTKDV LELYEASFLI RVGEVTLEQA RVFSTKILEK KVEEGIKDEK
LLAWIQHSLA LPLHWRIQRL EARWFLDAYK ARKDMNPIIY ELGKIDFHII QETQLQEVQE
VSQWWTNTNL AEKLPFVRDR IVECYFWALG LFEPHEYGYQ RKMAAIIITF VTIIDDVYDV
YDTLDELQLF TDAIRKWDVE SISTLPYYMQ VCYLAVFTYA SELAYDILKD QGFNSISYLQ
RSWLSLVEGF FQEAKWYYAG YTPTLAEYLE NAKVSISSPT IISQVYFTLP NSTERTVVEN
VFGYHNILYL SGMILRLADD LGTTQFELKR GDVQKAIQCY MNDNNATEEE GTEHVKYLLR
EAWQEMNSAM ADPDCPLSED LVFAAANLGR TSQFIYLDGD GHGVQHSEIH NQMGGLIFEP
YV
