eF-site ID 6ojs-A PDB Code 6ojs Chain A click to enlarge Title Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid Classification TRANSFERASE/TRANSFERASE INHIBITOR Compound Bifunctional dihydrofolate reductase-thymidylate synthase Source (A0A0S4TER9_CRYHO) Sequence A:  EKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNN KCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQD EADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDA LKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQT FCTKNISYDFMIFEKQEKKLKSIDDTVDLLGEIFGIRKMG NRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAY RENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFE ELIWFIKGDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHR EENDLGPIYGFQWRHYNGEYKTMHDDYTGVGVDQLAKLIE TLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTND NCLSCNLYQRSCDLGLGSPFNIASYAILTMMLAQVCGYEP GELAIFIGDAHIYENHLTQLKEQLSRTPRPFPQLKFKRKV ENIEDFKWEDIELIGYYPYPTIKMDMAV Description Functional site 1) chain A residue 11 type sequence A description binding site for residue NDP A 601 source : AC1 2) chain A residue 19 type sequence I description binding site for residue NDP A 601 source : AC1 3) chain A residue 20 type sequence G description binding site for residue NDP A 601 source : AC1 4) chain A residue 23 type sequence G description binding site for residue NDP A 601 source : AC1 5) chain A residue 24 type sequence Q description binding site for residue NDP A 601 source : AC1 6) chain A residue 25 type sequence L description binding site for residue NDP A 601 source : AC1 7) chain A residue 55 type sequence G description binding site for residue NDP A 601 source : AC1 8) chain A residue 56 type sequence R description binding site for residue NDP A 601 source : AC1 9) chain A residue 57 type sequence K description binding site for residue NDP A 601 source : AC1 10) chain A residue 58 type sequence T description binding site for residue NDP A 601 source : AC1 11) chain A residue 75 type sequence I description binding site for residue NDP A 601 source : AC1 12) chain A residue 76 type sequence S description binding site for residue NDP A 601 source : AC1 13) chain A residue 77 type sequence S description binding site for residue NDP A 601 source : AC1 14) chain A residue 78 type sequence S description binding site for residue NDP A 601 source : AC1 15) chain A residue 92 type sequence R description binding site for residue NDP A 601 source : AC1 16) chain A residue 113 type sequence C description binding site for residue NDP A 601 source : AC1 17) chain A residue 114 type sequence G description binding site for residue NDP A 601 source : AC1 18) chain A residue 115 type sequence G description binding site for residue NDP A 601 source : AC1 19) chain A residue 116 type sequence E description binding site for residue NDP A 601 source : AC1 20) chain A residue 117 type sequence S description binding site for residue NDP A 601 source : AC1 21) chain A residue 121 type sequence D description binding site for residue NDP A 601 source : AC1 22) chain A residue 145 type sequence T description binding site for residue NDP A 601 source : AC1 23) chain A residue 257 type sequence R description binding site for residue UFP A 602 source : AC2 24) chain A residue 316 type sequence W description binding site for residue UFP A 602 source : AC2 25) chain A residue 399 type sequence L description binding site for residue UFP A 602 source : AC2 26) chain A residue 402 type sequence C description binding site for residue UFP A 602 source : AC2 27) chain A residue 403 type sequence H description binding site for residue UFP A 602 source : AC2 28) chain A residue 422 type sequence Q description binding site for residue UFP A 602 source : AC2 29) chain A residue 423 type sequence R description binding site for residue UFP A 602 source : AC2 30) chain A residue 424 type sequence S description binding site for residue UFP A 602 source : AC2 31) chain A residue 425 type sequence C description binding site for residue UFP A 602 source : AC2 32) chain A residue 426 type sequence D description binding site for residue UFP A 602 source : AC2 33) chain A residue 430 type sequence G description binding site for residue UFP A 602 source : AC2 34) chain A residue 434 type sequence N description binding site for residue UFP A 602 source : AC2 35) chain A residue 464 type sequence H description binding site for residue UFP A 602 source : AC2 36) chain A residue 466 type sequence Y description binding site for residue UFP A 602 source : AC2 37) chain A residue 284 type sequence K description binding site for residue D96 A 603 source : AC3 38) chain A residue 287 type sequence A description binding site for residue D96 A 603 source : AC3 39) chain A residue 315 type sequence I description binding site for residue D96 A 603 source : AC3 40) chain A residue 319 type sequence N description binding site for residue D96 A 603 source : AC3 41) chain A residue 426 type sequence D description binding site for residue D96 A 603 source : AC3 42) chain A residue 429 type sequence L description binding site for residue D96 A 603 source : AC3 43) chain A residue 430 type sequence G description binding site for residue D96 A 603 source : AC3 44) chain A residue 433 type sequence F description binding site for residue D96 A 603 source : AC3 45) chain A residue 515 type sequence I description binding site for residue D96 A 603 source : AC3 46) chain A residue 519 type sequence M description binding site for residue D96 A 603 source : AC3 47) chain A residue 520 type sequence A description binding site for residue D96 A 603 source : AC3 48) chain A residue 9 type sequence V description binding site for residue MTX A 604 source : AC4 49) chain A residue 10 type sequence V description binding site for residue MTX A 604 source : AC4 50) chain A residue 11 type sequence A description binding site for residue MTX A 604 source : AC4 51) chain A residue 25 type sequence L description binding site for residue MTX A 604 source : AC4 52) chain A residue 32 type sequence D description binding site for residue MTX A 604 source : AC4 53) chain A residue 33 type sequence L description binding site for residue MTX A 604 source : AC4 54) chain A residue 36 type sequence F description binding site for residue MTX A 604 source : AC4 55) chain A residue 37 type sequence S description binding site for residue MTX A 604 source : AC4 56) chain A residue 58 type sequence T description binding site for residue MTX A 604 source : AC4 57) chain A residue 62 type sequence I description binding site for residue MTX A 604 source : AC4 58) chain A residue 67 type sequence L description binding site for residue MTX A 604 source : AC4 59) chain A residue 70 type sequence R description binding site for residue MTX A 604 source : AC4 60) chain A residue 113 type sequence C description binding site for residue MTX A 604 source : AC4 61) chain A residue 119 type sequence Y description binding site for residue MTX A 604 source : AC4 62) chain A residue 134 type sequence T description binding site for residue MTX A 604 source : AC4 63) chain A residue 382 type sequence R description binding site for residue UFP C 602 source : AD1 64) chain A residue 383 type sequence R description binding site for residue UFP C 602 source : AD1 65) chain A residue 18-40 type prosite sequence GIGINGQLPWSISEDLKFFSKIT description DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGingqLPWsise.DlkfFskiT source prosite : PS00075 66) chain A residue 382-410 type prosite sequence RRHILTAWNPSALSQMALPPCHVLSQYYV description THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RrhIltaWNpsalsqma.....LpPCHvlsQYyV source prosite : PS00091

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