eF-site ID 6ojs-E PDB Code 6ojs Chain E 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 E:  EKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNN KCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQD EADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDA LKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQT FCTKNISYDFMIFEKQEKKLKSIDDTVDLLGEIFGIRKMG NRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAY RENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFE ELIWFIKGDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHR EENDLGPIYGFQWRHYNGEYKTMHDDYTGVGVDQLAKLIE TLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTND NCLSCNLYQRSCDLGLGSPFNIASYAILTMMLAQVCGYEP GELAIFIGDAHIYENHLTQLKEQLSRTPRPFPQLKFKRKV ENIEDFKWEDIELIGYYPYPTIKMDMAV Description Functional site 1) chain E residue 382 type sequence R description binding site for residue UFP B 602 source : AC6 2) chain E residue 383 type sequence R description binding site for residue UFP B 602 source : AC6 3) chain E residue 11 type sequence A description binding site for residue NDP E 601 source : AD8 4) chain E residue 19 type sequence I description binding site for residue NDP E 601 source : AD8 5) chain E residue 20 type sequence G description binding site for residue NDP E 601 source : AD8 6) chain E residue 21 type sequence I description binding site for residue NDP E 601 source : AD8 7) chain E residue 23 type sequence G description binding site for residue NDP E 601 source : AD8 8) chain E residue 24 type sequence Q description binding site for residue NDP E 601 source : AD8 9) chain E residue 55 type sequence G description binding site for residue NDP E 601 source : AD8 10) chain E residue 56 type sequence R description binding site for residue NDP E 601 source : AD8 11) chain E residue 57 type sequence K description binding site for residue NDP E 601 source : AD8 12) chain E residue 58 type sequence T description binding site for residue NDP E 601 source : AD8 13) chain E residue 75 type sequence I description binding site for residue NDP E 601 source : AD8 14) chain E residue 76 type sequence S description binding site for residue NDP E 601 source : AD8 15) chain E residue 77 type sequence S description binding site for residue NDP E 601 source : AD8 16) chain E residue 78 type sequence S description binding site for residue NDP E 601 source : AD8 17) chain E residue 92 type sequence R description binding site for residue NDP E 601 source : AD8 18) chain E residue 113 type sequence C description binding site for residue NDP E 601 source : AD8 19) chain E residue 114 type sequence G description binding site for residue NDP E 601 source : AD8 20) chain E residue 115 type sequence G description binding site for residue NDP E 601 source : AD8 21) chain E residue 116 type sequence E description binding site for residue NDP E 601 source : AD8 22) chain E residue 117 type sequence S description binding site for residue NDP E 601 source : AD8 23) chain E residue 121 type sequence D description binding site for residue NDP E 601 source : AD8 24) chain E residue 145 type sequence T description binding site for residue NDP E 601 source : AD8 25) chain E residue 257 type sequence R description binding site for residue UFP E 602 source : AD9 26) chain E residue 316 type sequence W description binding site for residue UFP E 602 source : AD9 27) chain E residue 399 type sequence L description binding site for residue UFP E 602 source : AD9 28) chain E residue 402 type sequence C description binding site for residue UFP E 602 source : AD9 29) chain E residue 422 type sequence Q description binding site for residue UFP E 602 source : AD9 30) chain E residue 423 type sequence R description binding site for residue UFP E 602 source : AD9 31) chain E residue 424 type sequence S description binding site for residue UFP E 602 source : AD9 32) chain E residue 425 type sequence C description binding site for residue UFP E 602 source : AD9 33) chain E residue 426 type sequence D description binding site for residue UFP E 602 source : AD9 34) chain E residue 434 type sequence N description binding site for residue UFP E 602 source : AD9 35) chain E residue 464 type sequence H description binding site for residue UFP E 602 source : AD9 36) chain E residue 466 type sequence Y description binding site for residue UFP E 602 source : AD9 37) chain E residue 284 type sequence K description binding site for residue D96 E 603 source : AE1 38) chain E residue 315 type sequence I description binding site for residue D96 E 603 source : AE1 39) chain E residue 319 type sequence N description binding site for residue D96 E 603 source : AE1 40) chain E residue 399 type sequence L description binding site for residue D96 E 603 source : AE1 41) chain E residue 426 type sequence D description binding site for residue D96 E 603 source : AE1 42) chain E residue 429 type sequence L description binding site for residue D96 E 603 source : AE1 43) chain E residue 430 type sequence G description binding site for residue D96 E 603 source : AE1 44) chain E residue 433 type sequence F description binding site for residue D96 E 603 source : AE1 45) chain E residue 515 type sequence I description binding site for residue D96 E 603 source : AE1 46) chain E residue 520 type sequence A description binding site for residue D96 E 603 source : AE1 47) chain E residue 9 type sequence V description binding site for residue MTX E 604 source : AE2 48) chain E residue 10 type sequence V description binding site for residue MTX E 604 source : AE2 49) chain E residue 11 type sequence A description binding site for residue MTX E 604 source : AE2 50) chain E residue 25 type sequence L description binding site for residue MTX E 604 source : AE2 51) chain E residue 32 type sequence D description binding site for residue MTX E 604 source : AE2 52) chain E residue 36 type sequence F description binding site for residue MTX E 604 source : AE2 53) chain E residue 37 type sequence S description binding site for residue MTX E 604 source : AE2 54) chain E residue 58 type sequence T description binding site for residue MTX E 604 source : AE2 55) chain E residue 62 type sequence I description binding site for residue MTX E 604 source : AE2 56) chain E residue 67 type sequence L description binding site for residue MTX E 604 source : AE2 57) chain E residue 70 type sequence R description binding site for residue MTX E 604 source : AE2 58) chain E residue 113 type sequence C description binding site for residue MTX E 604 source : AE2 59) chain E residue 119 type sequence Y description binding site for residue MTX E 604 source : AE2 60) chain E residue 134 type sequence T description binding site for residue MTX E 604 source : AE2

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