eF-site ID 3n0b-A PDB Code 3n0b Chain A click to enlarge Title TM0449 mutant crystals grown in loops/micromounts Classification TRANSFERASE Compound Thymidylate synthase thyX Source Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099) (THYX_THEMA) Sequence A:  HMKIDILDKGFVELVDVMGNDLSAVRAARVSFDMGLKDEE RDRHLIEYLMKHGHETPFEHIVFTFHVKAPIFVARQWFRH RIASYNELSGRYSKLSYEFYIPSPERLEGYKTTIPPERVT EKISEIVDKAYRTYLELIESGVPREVARIVLPLNLYTRAF ATVNARSLMNFLNLRADSHAQWEIQQYALAIARIFKEKCP WTFEAFLKYAYKGDIL Description Functional site 1) chain A residue 85 type sequence N description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 2) chain A residue 86 type sequence E description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 3) chain A residue 88 type sequence S description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 4) chain A residue 91 type sequence Y description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 5) chain A residue 86 type sequence E description BINDING SITE FOR RESIDUE UMP A 303 source : AC2 6) chain A residue 87 type sequence L description BINDING SITE FOR RESIDUE UMP A 303 source : AC2 7) chain A residue 88 type sequence S description BINDING SITE FOR RESIDUE UMP A 303 source : AC2 8) chain A residue 89 type sequence G description BINDING SITE FOR RESIDUE UMP A 303 source : AC2 9) chain A residue 90 type sequence R description BINDING SITE FOR RESIDUE UMP A 303 source : AC2 10) chain A residue 147 type sequence R description BINDING SITE FOR RESIDUE UMP A 303 source : AC2 11) chain A residue 30 type sequence S description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 12) chain A residue 55 type sequence T description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 13) chain A residue 58 type sequence E description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 14) chain A residue 81 type sequence I description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 15) chain A residue 163 type sequence N description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 16) chain A residue 165 type sequence R description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 17) chain A residue 78 type sequence R description BINDING SITE FOR RESIDUE FAD A 315 source : AC7 18) chain A residue 79 type sequence H description BINDING SITE FOR RESIDUE FAD A 315 source : AC7 19) chain A residue 80 type sequence R description BINDING SITE FOR RESIDUE FAD A 315 source : AC7 20) chain A residue 81 type sequence I description BINDING SITE FOR RESIDUE FAD A 315 source : AC7 21) chain A residue 169 type sequence N description BINDING SITE FOR RESIDUE FAD A 315 source : AC7 22) chain A residue 173 type sequence L description BINDING SITE FOR RESIDUE FAD A 315 source : AC7 23) chain A residue 174 type sequence R description BINDING SITE FOR RESIDUE FAD A 315 source : AC7 24) chain A residue 178 type sequence H description BINDING SITE FOR RESIDUE FAD A 315 source : AC7 25) chain A residue 74 type sequence R description BINDING SITE FOR RESIDUE UMP D 318 source : AC8 26) chain A residue 75 type sequence Q description BINDING SITE FOR RESIDUE UMP D 318 source : AC8 27) chain A residue 78 type sequence R description BINDING SITE FOR RESIDUE UMP D 318 source : AC8 28) chain A residue 174 type sequence R description BINDING SITE FOR RESIDUE UMP D 318 source : AC8 29) chain A residue 174 type ACT_SITE sequence R description Involved in ionization of N3 of dUMP, leading to its activation => ECO:0000269|PubMed:27214228 source Swiss-Prot : SWS_FT_FI1 30) chain A residue 55 type BINDING sequence T description BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW source Swiss-Prot : SWS_FT_FI2 31) chain A residue 75 type BINDING sequence Q description BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS source Swiss-Prot : SWS_FT_FI3 32) chain A residue 174 type BINDING sequence R description BINDING => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS source Swiss-Prot : SWS_FT_FI3 33) chain A residue 78 type BINDING sequence R description BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW source Swiss-Prot : SWS_FT_FI4 34) chain A residue 86 type BINDING sequence E description BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW source Swiss-Prot : SWS_FT_FI4 35) chain A residue 163 type BINDING sequence N description BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW source Swiss-Prot : SWS_FT_FI4 36) chain A residue 169 type BINDING sequence N description BINDING => ECO:0000269|PubMed:12211025, ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0000269|PubMed:34315871, ECO:0007744|PDB:1KQ4, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GTD, ECO:0007744|PDB:4KAS, ECO:0007744|PDB:7NDW source Swiss-Prot : SWS_FT_FI4 37) chain A residue 147 type BINDING sequence R description in other chain => ECO:0000269|PubMed:12791256, ECO:0000269|PubMed:19370033, ECO:0000269|PubMed:22477781, ECO:0000269|PubMed:23019356, ECO:0000269|PubMed:24563811, ECO:0000269|PubMed:27214228, ECO:0007744|PDB:1O26, ECO:0007744|PDB:3G4A, ECO:0007744|PDB:3N0B, ECO:0007744|PDB:4GT9, ECO:0007744|PDB:4KAS source Swiss-Prot : SWS_FT_FI5

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