eF-site ID 6ojs-B PDB Code 6ojs Chain B 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 B:  EKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNN KCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQD EADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDA LKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQT FCTKNISYDFMIFEKQEKKLKSIDDTVDLLGEIFGIRKMG NRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAY RENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFE ELIWFIKGDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHR EENDLGPIYGFQWRHYNGEYKTMHDDYTGVGVDQLAKLIE TLKNNPKDRRHILTAWNPSALSQMALPPCHVLSQYYVTND NCLSCNLYQRSCDLGLGSPFNIASYAILTMMLAQVCGYEP GELAIFIGDAHIYENHLTQLKEQLSRTPRPFPQLKFKRKV ENIEDFKWEDIELIGYYPYPTIKMDMAV Description Functional site 1) chain B residue 11 type sequence A description binding site for residue NDP B 601 source : AC5 2) chain B residue 19 type sequence I description binding site for residue NDP B 601 source : AC5 3) chain B residue 20 type sequence G description binding site for residue NDP B 601 source : AC5 4) chain B residue 21 type sequence I description binding site for residue NDP B 601 source : AC5 5) chain B residue 23 type sequence G description binding site for residue NDP B 601 source : AC5 6) chain B residue 24 type sequence Q description binding site for residue NDP B 601 source : AC5 7) chain B residue 25 type sequence L description binding site for residue NDP B 601 source : AC5 8) chain B residue 55 type sequence G description binding site for residue NDP B 601 source : AC5 9) chain B residue 56 type sequence R description binding site for residue NDP B 601 source : AC5 10) chain B residue 57 type sequence K description binding site for residue NDP B 601 source : AC5 11) chain B residue 58 type sequence T description binding site for residue NDP B 601 source : AC5 12) chain B residue 75 type sequence I description binding site for residue NDP B 601 source : AC5 13) chain B residue 76 type sequence S description binding site for residue NDP B 601 source : AC5 14) chain B residue 77 type sequence S description binding site for residue NDP B 601 source : AC5 15) chain B residue 78 type sequence S description binding site for residue NDP B 601 source : AC5 16) chain B residue 92 type sequence R description binding site for residue NDP B 601 source : AC5 17) chain B residue 113 type sequence C description binding site for residue NDP B 601 source : AC5 18) chain B residue 114 type sequence G description binding site for residue NDP B 601 source : AC5 19) chain B residue 115 type sequence G description binding site for residue NDP B 601 source : AC5 20) chain B residue 116 type sequence E description binding site for residue NDP B 601 source : AC5 21) chain B residue 117 type sequence S description binding site for residue NDP B 601 source : AC5 22) chain B residue 119 type sequence Y description binding site for residue NDP B 601 source : AC5 23) chain B residue 121 type sequence D description binding site for residue NDP B 601 source : AC5 24) chain B residue 145 type sequence T description binding site for residue NDP B 601 source : AC5 25) chain B residue 257 type sequence R description binding site for residue UFP B 602 source : AC6 26) chain B residue 316 type sequence W description binding site for residue UFP B 602 source : AC6 27) chain B residue 399 type sequence L description binding site for residue UFP B 602 source : AC6 28) chain B residue 402 type sequence C description binding site for residue UFP B 602 source : AC6 29) chain B residue 422 type sequence Q description binding site for residue UFP B 602 source : AC6 30) chain B residue 423 type sequence R description binding site for residue UFP B 602 source : AC6 31) chain B residue 424 type sequence S description binding site for residue UFP B 602 source : AC6 32) chain B residue 425 type sequence C description binding site for residue UFP B 602 source : AC6 33) chain B residue 426 type sequence D description binding site for residue UFP B 602 source : AC6 34) chain B residue 430 type sequence G description binding site for residue UFP B 602 source : AC6 35) chain B residue 434 type sequence N description binding site for residue UFP B 602 source : AC6 36) chain B residue 464 type sequence H description binding site for residue UFP B 602 source : AC6 37) chain B residue 466 type sequence Y description binding site for residue UFP B 602 source : AC6 38) chain B residue 284 type sequence K description binding site for residue D96 B 603 source : AC7 39) chain B residue 315 type sequence I description binding site for residue D96 B 603 source : AC7 40) chain B residue 319 type sequence N description binding site for residue D96 B 603 source : AC7 41) chain B residue 426 type sequence D description binding site for residue D96 B 603 source : AC7 42) chain B residue 429 type sequence L description binding site for residue D96 B 603 source : AC7 43) chain B residue 430 type sequence G description binding site for residue D96 B 603 source : AC7 44) chain B residue 515 type sequence I description binding site for residue D96 B 603 source : AC7 45) chain B residue 519 type sequence M description binding site for residue D96 B 603 source : AC7 46) chain B residue 520 type sequence A description binding site for residue D96 B 603 source : AC7 47) chain B residue 9 type sequence V description binding site for residue MTX B 604 source : AC8 48) chain B residue 10 type sequence V description binding site for residue MTX B 604 source : AC8 49) chain B residue 11 type sequence A description binding site for residue MTX B 604 source : AC8 50) chain B residue 25 type sequence L description binding site for residue MTX B 604 source : AC8 51) chain B residue 32 type sequence D description binding site for residue MTX B 604 source : AC8 52) chain B residue 33 type sequence L description binding site for residue MTX B 604 source : AC8 53) chain B residue 36 type sequence F description binding site for residue MTX B 604 source : AC8 54) chain B residue 37 type sequence S description binding site for residue MTX B 604 source : AC8 55) chain B residue 58 type sequence T description binding site for residue MTX B 604 source : AC8 56) chain B residue 62 type sequence I description binding site for residue MTX B 604 source : AC8 57) chain B residue 67 type sequence L description binding site for residue MTX B 604 source : AC8 58) chain B residue 70 type sequence R description binding site for residue MTX B 604 source : AC8 59) chain B residue 113 type sequence C description binding site for residue MTX B 604 source : AC8 60) chain B residue 119 type sequence Y description binding site for residue MTX B 604 source : AC8 61) chain B residue 134 type sequence T description binding site for residue MTX B 604 source : AC8 62) chain B residue 382 type sequence R description binding site for residue UFP E 602 source : AD9 63) chain B residue 383 type sequence R description binding site for residue UFP E 602 source : AD9

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