This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.
Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.
Thymidylate synthase
From Proteopedia
| Line 8: | Line 8: | ||
==3D structures of thymidylate synthase== | ==3D structures of thymidylate synthase== | ||
| + | |||
| + | Updated on {{REVISIONDAY2}}-{{MONTHNAME|{{REVISIONMONTH}}}}-{{REVISIONYEAR}} | ||
[[3tms]], [[1tjs]], [[1f4b]], [[2ftq]] – EcTS – ''Escherichia coli''<br /> | [[3tms]], [[1tjs]], [[1f4b]], [[2ftq]] – EcTS – ''Escherichia coli''<br /> | ||
| Line 15: | Line 17: | ||
[[1tis]] – TS – ''Enterobacteria'' phage T4<br /> | [[1tis]] – TS – ''Enterobacteria'' phage T4<br /> | ||
[[1bsf]], [[1bko]], [[1bkp]], [[1bsp]] - BsTS - ''Bacillus subtilis''<br /> | [[1bsf]], [[1bko]], [[1bkp]], [[1bsp]] - BsTS - ''Bacillus subtilis''<br /> | ||
| - | [[1hw3]], [[1hw4]], [[1hzw]], [[1ypv]], [[2onb]] - hTS – human<br /> | + | [[1hw3]], [[1hw4]], [[1hzw]], [[1ypv]], [[2onb]], [[4gyh]], [[4h1i]]- hTS – human<br /> |
[[3n5g]] – hTS His-tag<br /> | [[3n5g]] – hTS His-tag<br /> | ||
[[2rd8]], [[2rda]], [[3egy]], [[3ehi]], [[3eaw]], [[3ebu]], [[3ed7]], [[3edw]], [[3ef9]], [[3ejl]], [[3gg5]], [[3gh0]], [[3gh2]] – hTS (mutant)<br /> | [[2rd8]], [[2rda]], [[3egy]], [[3ehi]], [[3eaw]], [[3ebu]], [[3ed7]], [[3edw]], [[3ef9]], [[3ejl]], [[3gg5]], [[3gh0]], [[3gh2]] – hTS (mutant)<br /> | ||
| Line 48: | Line 50: | ||
[[3hb8]] - hTS (mutant) + UMP<BR /> | [[3hb8]] - hTS (mutant) + UMP<BR /> | ||
[[3ob7]] - hTS (mutant) + glutathione<br /> | [[3ob7]] - hTS (mutant) + glutathione<br /> | ||
| - | [[3n5e]] - hTS + peptide inhibitor<br /> | + | [[4g2o]] – hTS (mutant) + purpurogallin<br /> |
| + | [[4gd7]] – hTS + purpurogallin<br /> | ||
| + | [[4g6w]] – hTS (mutant) + bromobenzine-triol<br /> | ||
| + | [[3n5e]], [[4fgt]] - hTS + peptide inhibitor<br /> | ||
| + | [[4e28]] - hTS + inhibitor<br /> | ||
[[4dq1]] - TS + UMP – ''Staphylococcus aureus''<br /> | [[4dq1]] - TS + UMP – ''Staphylococcus aureus''<br /> | ||
[[4e5o]] - mTS + UMP<BR /> | [[4e5o]] - mTS + UMP<BR /> | ||
| + | [[4ein]] – mTS + substrate analog<br /> | ||
| + | [[4ez8]] – mTS + substrate analog + dihydrofolate<br /> | ||
| + | [[3uwl]] – TS + 5-formyl tetrahydrofolate – ''Enterococcus faecalis''<br > | ||
| + | [[4g9u]] – TS + UMP – Trichinella spiralis<br /> | ||
| + | [[4foa]] - MtTS + fluoro-UMP – ''Mycobacterium tuberculosis'' | ||
''Thymidylate synthase ternary complex'' | ''Thymidylate synthase ternary complex'' | ||
| Line 73: | Line 84: | ||
[[1nce]], [[2g8m]] - EcTS (mutant) + inhibitor+ UMP<BR /> | [[1nce]], [[2g8m]] - EcTS (mutant) + inhibitor+ UMP<BR /> | ||
[[1ddu]], [[1tdu]] - EcTS + deoxyuridine derivative + inhibitor<br /> | [[1ddu]], [[1tdu]] - EcTS + deoxyuridine derivative + inhibitor<br /> | ||
| + | [[4gev]] - EcTS + deoxyuridine derivative + cofactor analog<br /> | ||
| + | [[4knz]] - EcTS + deoxyuridine derivative + folate derivative<br /> | ||
[[1rts]], [[2tsr]] - TS + drug + UMP – rat<br /> | [[1rts]], [[2tsr]] - TS + drug + UMP – rat<br /> | ||
[[1hvy]], [[1i00]] - hTS + drug + UMP<BR /> | [[1hvy]], [[1i00]] - hTS + drug + UMP<BR /> | ||
| Line 81: | Line 94: | ||
[[1f28]] - PcTS + inhibitor+ UMP<BR /> | [[1f28]] - PcTS + inhibitor+ UMP<BR /> | ||
[[2aaz]] - TS + inhibitor+ UMP – ''Filobasidiella neoformans''<br /> | [[2aaz]] - TS + inhibitor+ UMP – ''Filobasidiella neoformans''<br /> | ||
| - | [[3qj7]] - MtTS + spermine + UMP | + | [[3qj7]] - MtTS + spermine + UMP <br /> |
| + | [[4fog]] - MtTS + fluoro-UMP + methy-DHF<br /> | ||
| + | [[4fox]], [[4fqs]] - MtTS + inhibitor + fluoro-UMP <br /> | ||
[[4eb4]] - mTS + drug + UMP<BR /> | [[4eb4]] - mTS + drug + UMP<BR /> | ||
Revision as of 09:12, 12 August 2013
Template:STRUCTURE 4tmk Thymidylate synthase (TS) catalyzes the methylation of dUMP to dTMP using 5,10-methylenetetrahydrofolate as a cofactor. TS is essential for DNA replication and repair. TS inhibition at its folate-binding site is used in anticancer therapeutic drugs. In protozoa, dihydrofolate reductase (DHFR) and TS are expressed as a bifunctional monomeric enzyme (DHFR-TS) with the DHFR entity at the N terminal. DHFR and TS catalyze consecutive reactions in the dTMP biosynthesis. DHFR-TS inhibitors are potential drug targets against parasite-transferred diseases.
3D structures of thymidylate synthase
Updated on 12-August-2013
3tms, 1tjs, 1f4b, 2ftq – EcTS – Escherichia coli
1ajm, 1bq2, 1qqq, 1ev5, 1ev8, 1evf, 1evg, 1ffl, 2g8x, 2ftn - EcTS (mutant)
4tms, 1tda - LcTS – Lactobacillus casei
1tsw, 1tsz - LcTS (mutant)
1tis – TS – Enterobacteria phage T4
1bsf, 1bko, 1bkp, 1bsp - BsTS - Bacillus subtilis
1hw3, 1hw4, 1hzw, 1ypv, 2onb, 4gyh, 4h1i- hTS – human
3n5g – hTS His-tag
2rd8, 2rda, 3egy, 3ehi, 3eaw, 3ebu, 3ed7, 3edw, 3ef9, 3ejl, 3gg5, 3gh0, 3gh2 – hTS (mutant)
3ix6 – BmTS – Brucella melitensis
3kgb – TS – Encephalitozoon cuniculi
3ihi – mTS – mouse
3ge9 - CgTS – Corynebacterium glutamicum
3v8h – TS – Burkholderia thailandensis
Thymidylate synthase binary complex
1tdc, 1thy, 2tdm – LcTS + UMP
1tsv, 1tsx, 1tsy, 1njd, 1njb, 1vza, 1vzb, 1jmf, 1jmg, 1jmh, 1jmi, 1bo7, 1bo8, 1bp6, 1bpj, 1bp0, 2g86, 2g89, 2g8a, 2g8d - LcTS (mutant) + UMP
1vzc - LcTS (mutant) + fluoro-UMP
1nja, 1njc - LcTS (mutant) + CMP
1nje - LcTS + CMP
1tdb - LcTS + fluoro-UMP
1tsl, 1tsm - LcTS + inhibitor
4tmk, 5tmp - EcTS + inhibitor
1an5 - EcTS + inhibitor
1fwm - EcTS (mutant) + inhibitor
1bid - EcTS + UMP
1aob, 1bdu - EcTS + deoxyuridine derivative
1f4c, 1f4e - EcTS + tosyl-proline derivative
1f4d - EcTS (mutant) + tosyl-proline derivative
1f4f, 1f4g - EcTS + glutamyl-proline derivative
2vet - EcTS (mutant) + UMP
3b9h - EcTS + nitro-UMP
3bfi - EcTS (mutant) + nitro-UMP
1tmk - TS + TMP – yeast
3h9k - hTS (mutant) + fluoro-UMP
3hb8 - hTS (mutant) + UMP
3ob7 - hTS (mutant) + glutathione
4g2o – hTS (mutant) + purpurogallin
4gd7 – hTS + purpurogallin
4g6w – hTS (mutant) + bromobenzine-triol
3n5e, 4fgt - hTS + peptide inhibitor
4e28 - hTS + inhibitor
4dq1 - TS + UMP – Staphylococcus aureus
4e5o - mTS + UMP
4ein – mTS + substrate analog
4ez8 – mTS + substrate analog + dihydrofolate
3uwl – TS + 5-formyl tetrahydrofolate – Enterococcus faecalis
4g9u – TS + UMP – Trichinella spiralis
4foa - MtTS + fluoro-UMP – Mycobacterium tuberculosis
Thymidylate synthase ternary complex
2tdd - LcTS + inhibitor+ fluoro-UMP
1vzd - LcTS (mutant) + inhibitor+ fluoro-UMP
1vze, 1tvu, 1tvv, 1tvw - LcTS (mutant) + inhibitor+ UMP
1lca, 1lce, 3bnz - LcTS + inhibitor+ UMP
1lcb - LcTS + inhibitor+ TMP
3byx, 3bz0, 3c06, 3c0a, 3ijz, 3ik0, 3ik1 - LcTS + phthalimidic derivative + UMP
1tys - EcTS + inhibitor+ TMP
2fto, 3bgx - EcTS (mutant) + inhibitor+ TMP
1tlc - EcTS + inhibitor+ GMP
1syn, 1tsd - EcTS + inhibitor+ UMP
2bbq, 2tsc, 1kce, 1trg, 1kzi - EcTS + inhibitor+ UMP
1zpr, 1aiq, 1dna, 1bq1, 1kzj, 2vf0, 3b5b - EcTS (mutant) + inhibitor+ UMP
1tls, 1tsn - EcTS + inhibitor+ fluoro-UMP
3bhl, 3bhr - EcTS + inhibitor+ nitro-UMP
1bjg - EcTS (mutant) + inhibitor+ fluoro-UMP
2kce, 1axw - EcTS + drug + UMP
1jtq, 1jtu, 1jut, 1jg0, 2a9w, 2g8o - EcTS + inhibitor+ UMP
1nce, 2g8m - EcTS (mutant) + inhibitor+ UMP
1ddu, 1tdu - EcTS + deoxyuridine derivative + inhibitor
4gev - EcTS + deoxyuridine derivative + cofactor analog
4knz - EcTS + deoxyuridine derivative + folate derivative
1rts, 2tsr - TS + drug + UMP – rat
1hvy, 1i00 - hTS + drug + UMP
1e2d, 1e2e, 1e2f - hTS (mutant) + ADP + TMP
1ju6, 1juj - hTS (mutant) + inhibitor+ UMP
1b02 - BsTS + inhibitor+ fluoro-UMP
1ci7 - PcTS + inhibitor+ UMP – Pneumocystis carinii
1f28 - PcTS + inhibitor+ UMP
2aaz - TS + inhibitor+ UMP – Filobasidiella neoformans
3qj7 - MtTS + spermine + UMP
4fog - MtTS + fluoro-UMP + methy-DHF
4fox, 4fqs - MtTS + inhibitor + fluoro-UMP
4eb4 - mTS + drug + UMP
Bifunctional dihydrofolate reductase-thymidylate synthase
3i3r - DHFR-TS – Babesia bovis
DHFR-TS binary complex
3irm - TcDHFR-TS + inhibitor
3kjr - BmDHFR-TS + NADP
DHFR-TS ternary complex
2h2q - TcDHFR-TS + NADP + UMP – Trypanosoma cruzi
3clb, 3hbb - TcDHFR-TS + NADP + drug
3kjs, 3irn, 3iro, 3rg9 - TcDHFR-TS + NADP + inhibitor
DHFR-TS quaternary complex
1j3i, 3dga, 3qgt – PfDHFR-TS + NADP + inhibitor+ UMP – Plasmodium falciparum
1j3j, 1j3k, 3dg8, 3jsu, 3qg2 - PfDHFR-TS (mutant) + NADP + inhibitor+ UMP
1qzf, 1sej - ChDHFR-TS + NADP + inhibitor+ UMP – Cryprosporidium hominis
2oip - ChDHFR-TS (mutant) + NADP + inhibitor+ drug + UMP
3dl5, 3dl6 - ChDHFR-TS (mutant) + NADP + inhibitor+ dihydrofolic acid + UMP
3hj3 - ChDHFR-TS (mutant) + NADP + drug + UMP
3k2h - BmDHFR-TS + NADP + inhibitor+ UMP
3nrr - BmDHFR-TS + NADP + drug + UMP
3cl9 - TcDHFR-TS + NADP + drug + UMP
3inv - TcDHFR-TS + NADP + inhibitor+ UMP
Flavin-dependent thymidylate synthase
2af6 - MtTS + FAD + bromo-UMP
3hzg - MtTS + FAD
3gwc - MtTS + FAD + fluoro-UMP
2cfa - TS + FAD – Paramecium bursaria chlorella virus
2gq2 - MtTS (mutant) + NADP
3g4a, 3g4c, 3n0b, 3n0c - TS (mutant) + FAD + UMP – Thermotoga maritima
3fnn - CgTS + FAD
3ah5, 3n3y - TS + FAD + UMP – Helicobacter pylori
Proteopedia Page Contributors and Editors (what is this?)
Michael O'Shaughnessy, Karsten Theis, Michal Harel, Alexander Berchansky, Shaylie Albright, Anna Postnikova, Kia Yang, Joel L. Sussman
