eF-site ID 6a2m-AB PDB Code 6a2m Chain A, B click to enlarge Title Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP Classification OXIDOREDUCTASE Compound Bifunctional dihydrofolate reductase-thymidylate synthase Source (A7UD81_PLAFA) Sequence A:  MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGL GNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKY LNKETKLQNVVVMGRTSWESIPKKFKPLSNRINVILSRTL KKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQ EFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVS DVYTSNNTTLDFIIYKKTNNDDEEEDDFVYFNFNKEKNSI HPNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTG VGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFI RGETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLG PIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDP TSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIM YQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVL GNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFT ISDFTIQNYVHHEKISM B:  MMEQVCDVFDIYAICACCKVESKNEGKKNEVFNNYTFRGL GNKGVLPWKCNSLDMKYFCAVTTYVNESKYEKLKYKRCKY LNKETKLQNVVVMGRTSWESIPKKFKPLSNRINVILSRTL KKEDFDEDVYIINKVEDLIVLLGKLNYYKCFIIGGSVVYQ EFLEKKLIKKIYFTRINSTYECDVFFPEINENEYQIISVS DVYTSNNTTLDFIIYKKTNNDDEEEDDFVYFNFNKENSIH PNDFQIYNSLKYKYHPEYQYLNIIYDIMMNGNKQSDRTGV GVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIR GETNGNTLLNKNVRIWEANGTREFLDNRKLFHREVNDLGP IYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPT SRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMY QRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLG NAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTI SDFTIQNYVHHEKISM Description Functional site 1) chain A residue 14 type sequence I description binding site for residue 9QR A 701 source : AC1 2) chain A residue 15 type sequence C description binding site for residue 9QR A 701 source : AC1 3) chain A residue 16 type sequence A description binding site for residue 9QR A 701 source : AC1 4) chain A residue 54 type sequence D description binding site for residue 9QR A 701 source : AC1 5) chain A residue 55 type sequence M description binding site for residue 9QR A 701 source : AC1 6) chain A residue 58 type sequence F description binding site for residue 9QR A 701 source : AC1 7) chain A residue 113 type sequence P description binding site for residue 9QR A 701 source : AC1 8) chain A residue 116 type sequence F description binding site for residue 9QR A 701 source : AC1 9) chain A residue 164 type sequence I description binding site for residue 9QR A 701 source : AC1 10) chain A residue 170 type sequence Y description binding site for residue 9QR A 701 source : AC1 11) chain A residue 185 type sequence T description binding site for residue 9QR A 701 source : AC1 12) chain A residue 15 type sequence C description binding site for residue NAP A 702 source : AC2 13) chain A residue 16 type sequence A description binding site for residue NAP A 702 source : AC2 14) chain A residue 40 type sequence L description binding site for residue NAP A 702 source : AC2 15) chain A residue 41 type sequence G description binding site for residue NAP A 702 source : AC2 16) chain A residue 42 type sequence N description binding site for residue NAP A 702 source : AC2 17) chain A residue 44 type sequence G description binding site for residue NAP A 702 source : AC2 18) chain A residue 45 type sequence V description binding site for residue NAP A 702 source : AC2 19) chain A residue 105 type sequence G description binding site for residue NAP A 702 source : AC2 20) chain A residue 106 type sequence R description binding site for residue NAP A 702 source : AC2 21) chain A residue 107 type sequence T description binding site for residue NAP A 702 source : AC2 22) chain A residue 108 type sequence S description binding site for residue NAP A 702 source : AC2 23) chain A residue 127 type sequence L description binding site for residue NAP A 702 source : AC2 24) chain A residue 128 type sequence S description binding site for residue NAP A 702 source : AC2 25) chain A residue 129 type sequence R description binding site for residue NAP A 702 source : AC2 26) chain A residue 130 type sequence T description binding site for residue NAP A 702 source : AC2 27) chain A residue 144 type sequence N description binding site for residue NAP A 702 source : AC2 28) chain A residue 146 type sequence V description binding site for residue NAP A 702 source : AC2 29) chain A residue 164 type sequence I description binding site for residue NAP A 702 source : AC2 30) chain A residue 166 type sequence G description binding site for residue NAP A 702 source : AC2 31) chain A residue 167 type sequence S description binding site for residue NAP A 702 source : AC2 32) chain A residue 168 type sequence V description binding site for residue NAP A 702 source : AC2 33) chain A residue 169 type sequence V description binding site for residue NAP A 702 source : AC2 34) chain A residue 170 type sequence Y description binding site for residue NAP A 702 source : AC2 35) chain A residue 172 type sequence E description binding site for residue NAP A 702 source : AC2 36) chain A residue 345 type sequence R description binding site for residue UMP A 703 source : AC3 37) chain A residue 490 type sequence C description binding site for residue UMP A 703 source : AC3 38) chain A residue 491 type sequence H description binding site for residue UMP A 703 source : AC3 39) chain A residue 509 type sequence Q description binding site for residue UMP A 703 source : AC3 40) chain A residue 510 type sequence R description binding site for residue UMP A 703 source : AC3 41) chain A residue 511 type sequence S description binding site for residue UMP A 703 source : AC3 42) chain A residue 513 type sequence D description binding site for residue UMP A 703 source : AC3 43) chain A residue 521 type sequence N description binding site for residue UMP A 703 source : AC3 44) chain A residue 551 type sequence H description binding site for residue UMP A 703 source : AC3 45) chain A residue 553 type sequence Y description binding site for residue UMP A 703 source : AC3 46) chain B residue 470 type sequence R description binding site for residue UMP A 703 source : AC3 47) chain B residue 471 type sequence R description binding site for residue UMP A 703 source : AC3 48) chain A residue 330 type sequence N description binding site for residue PO4 A 704 source : AC4 49) chain A residue 331 type sequence I description binding site for residue PO4 A 704 source : AC4 50) chain A residue 334 type sequence D description binding site for residue PO4 A 704 source : AC4 51) chain B residue 14 type sequence I description binding site for residue 9QR B 701 source : AC5 52) chain B residue 15 type sequence C description binding site for residue 9QR B 701 source : AC5 53) chain B residue 16 type sequence A description binding site for residue 9QR B 701 source : AC5 54) chain B residue 54 type sequence D description binding site for residue 9QR B 701 source : AC5 55) chain B residue 55 type sequence M description binding site for residue 9QR B 701 source : AC5 56) chain B residue 58 type sequence F description binding site for residue 9QR B 701 source : AC5 57) chain B residue 116 type sequence F description binding site for residue 9QR B 701 source : AC5 58) chain B residue 164 type sequence I description binding site for residue 9QR B 701 source : AC5 59) chain B residue 170 type sequence Y description binding site for residue 9QR B 701 source : AC5 60) chain B residue 185 type sequence T description binding site for residue 9QR B 701 source : AC5 61) chain B residue 15 type sequence C description binding site for residue NAP B 702 source : AC6 62) chain B residue 16 type sequence A description binding site for residue NAP B 702 source : AC6 63) chain B residue 40 type sequence L description binding site for residue NAP B 702 source : AC6 64) chain B residue 41 type sequence G description binding site for residue NAP B 702 source : AC6 65) chain B residue 44 type sequence G description binding site for residue NAP B 702 source : AC6 66) chain B residue 45 type sequence V description binding site for residue NAP B 702 source : AC6 67) chain B residue 46 type sequence L description binding site for residue NAP B 702 source : AC6 68) chain B residue 105 type sequence G description binding site for residue NAP B 702 source : AC6 69) chain B residue 106 type sequence R description binding site for residue NAP B 702 source : AC6 70) chain B residue 107 type sequence T description binding site for residue NAP B 702 source : AC6 71) chain B residue 108 type sequence S description binding site for residue NAP B 702 source : AC6 72) chain B residue 127 type sequence L description binding site for residue NAP B 702 source : AC6 73) chain B residue 128 type sequence S description binding site for residue NAP B 702 source : AC6 74) chain B residue 129 type sequence R description binding site for residue NAP B 702 source : AC6 75) chain B residue 130 type sequence T description binding site for residue NAP B 702 source : AC6 76) chain B residue 144 type sequence N description binding site for residue NAP B 702 source : AC6 77) chain B residue 164 type sequence I description binding site for residue NAP B 702 source : AC6 78) chain B residue 165 type sequence G description binding site for residue NAP B 702 source : AC6 79) chain B residue 166 type sequence G description binding site for residue NAP B 702 source : AC6 80) chain B residue 167 type sequence S description binding site for residue NAP B 702 source : AC6 81) chain B residue 168 type sequence V description binding site for residue NAP B 702 source : AC6 82) chain B residue 169 type sequence V description binding site for residue NAP B 702 source : AC6 83) chain B residue 170 type sequence Y description binding site for residue NAP B 702 source : AC6 84) chain B residue 172 type sequence E description binding site for residue NAP B 702 source : AC6 85) chain A residue 470 type sequence R description binding site for residue UMP B 703 source : AC7 86) chain A residue 471 type sequence R description binding site for residue UMP B 703 source : AC7 87) chain B residue 345 type sequence R description binding site for residue UMP B 703 source : AC7 88) chain B residue 490 type sequence C description binding site for residue UMP B 703 source : AC7 89) chain B residue 491 type sequence H description binding site for residue UMP B 703 source : AC7 90) chain B residue 509 type sequence Q description binding site for residue UMP B 703 source : AC7 91) chain B residue 510 type sequence R description binding site for residue UMP B 703 source : AC7 92) chain B residue 511 type sequence S description binding site for residue UMP B 703 source : AC7 93) chain B residue 513 type sequence D description binding site for residue UMP B 703 source : AC7 94) chain B residue 521 type sequence N description binding site for residue UMP B 703 source : AC7 95) chain B residue 551 type sequence H description binding site for residue UMP B 703 source : AC7 96) chain B residue 553 type sequence Y description binding site for residue UMP B 703 source : AC7 97) chain B residue 330 type sequence N description binding site for residue PO4 B 704 source : AC8 98) chain B residue 331 type sequence I description binding site for residue PO4 B 704 source : AC8 99) chain B residue 334 type sequence D description binding site for residue PO4 B 704 source : AC8 100) chain B residue 356 type sequence Y description binding site for residue PO4 B 704 source : AC8 101) chain A residue 39-62 type prosite sequence GLGNKGVLPWKCNSLDMKYFCAVT description DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GLGnkgvLPWkcnslDmkyFcavT source prosite : PS00075 102) chain A residue 470-498 type prosite sequence RRILLCAWNVKDLDQMALPPCHILCQFYV description THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriLlcaWNvkdldqma.....LpPCHilcQFyV source prosite : PS00091

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