eF-site ID 3n0b-B PDB Code 3n0b Chain B 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 B:  MKIDILDKGFVELVDVMGNDLSAVRAARVSFDMGLKDEER DRHLIEYLMKHGHETPFEHIVFTFHVKAPIFVARQWFRHR IASYNELSGRYSKLSYEFYIPSPERLEGYKTTIPPERVTE KISEIVDKAYRTYLELIESGVPREVARIVLPLNLYTRAFA TVNARSLMNFLNLRADSHAQWEIQQYALAIARIFKEKCPW TFEAFLKYAYKGDILKEVQV Description Functional site 1) chain B residue 30 type sequence S description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 2) chain B residue 55 type sequence T description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 3) chain B residue 58 type sequence E description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 4) chain B residue 81 type sequence I description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 5) chain B residue 163 type sequence N description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 6) chain B residue 165 type sequence R description BINDING SITE FOR RESIDUE FAD D 300 source : AC1 7) chain B residue 85 type sequence N description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 8) chain B residue 86 type sequence E description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 9) chain B residue 88 type sequence S description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 10) chain B residue 91 type sequence Y description BINDING SITE FOR RESIDUE FAD C 305 source : AC3 11) chain B residue 86 type sequence E description BINDING SITE FOR RESIDUE UMP B 308 source : AC4 12) chain B residue 87 type sequence L description BINDING SITE FOR RESIDUE UMP B 308 source : AC4 13) chain B residue 88 type sequence S description BINDING SITE FOR RESIDUE UMP B 308 source : AC4 14) chain B residue 89 type sequence G description BINDING SITE FOR RESIDUE UMP B 308 source : AC4 15) chain B residue 90 type sequence R description BINDING SITE FOR RESIDUE UMP B 308 source : AC4 16) chain B residue 147 type sequence R description BINDING SITE FOR RESIDUE UMP B 308 source : AC4 17) chain B residue 78 type sequence R description BINDING SITE FOR RESIDUE FAD B 310 source : AC5 18) chain B residue 79 type sequence H description BINDING SITE FOR RESIDUE FAD B 310 source : AC5 19) chain B residue 80 type sequence R description BINDING SITE FOR RESIDUE FAD B 310 source : AC5 20) chain B residue 81 type sequence I description BINDING SITE FOR RESIDUE FAD B 310 source : AC5 21) chain B residue 169 type sequence N description BINDING SITE FOR RESIDUE FAD B 310 source : AC5 22) chain B residue 173 type sequence L description BINDING SITE FOR RESIDUE FAD B 310 source : AC5 23) chain B residue 174 type sequence R description BINDING SITE FOR RESIDUE FAD B 310 source : AC5 24) chain B residue 75 type sequence Q description BINDING SITE FOR RESIDUE UMP C 313 source : AC6 25) chain B residue 78 type sequence R description BINDING SITE FOR RESIDUE UMP C 313 source : AC6 26) chain B residue 174 type sequence R description BINDING SITE FOR RESIDUE UMP C 313 source : AC6 27) chain B 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 28) chain B 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 29) chain B 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 30) chain B 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 31) chain B 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 32) chain B 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 33) chain B 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 34) chain B 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 35) chain B 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

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