eF-site ID 3kl6-A PDB Code 3kl6 Chain A click to enlarge Title Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor Classification HYDROLASE Compound Coagulation Factor X heavy chain Source Homo sapiens (Human) (FA10_HUMAN) Sequence A:  IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTA AHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRF TKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLM TQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSS SFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVT GIVSWGEGCARKGKYGIYTKVTAFLKWIDRSM Description Functional site 1) chain A residue 97 type sequence E description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 2) chain A residue 98 type sequence T description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 3) chain A residue 174 type sequence F description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 4) chain A residue 189 type sequence D description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 5) chain A residue 190 type sequence A description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 6) chain A residue 192 type sequence Q description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 7) chain A residue 195 type sequence S description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 8) chain A residue 213 type sequence V description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 9) chain A residue 214 type sequence S description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 10) chain A residue 215 type sequence W description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 11) chain A residue 216 type sequence G description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 12) chain A residue 219 type sequence G description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 13) chain A residue 220 type sequence C description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 14) chain A residue 226 type sequence G description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 15) chain A residue 227 type sequence I description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 16) chain A residue 228 type sequence Y description BINDING SITE FOR RESIDUE 443 A 1 source : AC1 17) chain A residue 171 type sequence S description BINDING SITE FOR RESIDUE EDO A 902 source : AC2 18) chain A residue 216 type sequence G description BINDING SITE FOR RESIDUE EDO A 902 source : AC2 19) chain A residue 217 type sequence E description BINDING SITE FOR RESIDUE EDO A 902 source : AC2 20) chain A residue 224 type sequence K description BINDING SITE FOR RESIDUE EDO A 902 source : AC2 21) chain A residue 225 type sequence Y description BINDING SITE FOR RESIDUE EDO A 902 source : AC2 22) chain A residue 63 type sequence R description BINDING SITE FOR RESIDUE EDO A 904 source : AC3 23) chain A residue 64 type sequence F description BINDING SITE FOR RESIDUE EDO A 904 source : AC3 24) chain A residue 88 type sequence V description BINDING SITE FOR RESIDUE EDO A 904 source : AC3 25) chain A residue 219 type sequence G description BINDING SITE FOR RESIDUE EDO A 905 source : AC4 26) chain A residue 222 type sequence R description BINDING SITE FOR RESIDUE EDO A 905 source : AC4 27) chain A residue 124 type sequence E description BINDING SITE FOR RESIDUE CA A 252 source : AC5 28) chain A residue 126 type sequence D description BINDING SITE FOR RESIDUE CA A 252 source : AC5 29) chain A residue 145 type sequence H description BINDING SITE FOR RESIDUE CA A 252 source : AC5 30) chain A residue 185 type sequence Y description BINDING SITE FOR RESIDUE CA A 2 source : AC6 31) chain A residue 185 type sequence Y description BINDING SITE FOR RESIDUE CA A 2 source : AC6 32) chain A residue 222 type sequence R description BINDING SITE FOR RESIDUE CA A 2 source : AC6 33) chain A residue 224 type sequence K description BINDING SITE FOR RESIDUE CA A 2 source : AC6 34) chain A residue 70 type sequence D description BINDING SITE FOR RESIDUE CA A 3 source : AC7 35) chain A residue 72 type sequence N description BINDING SITE FOR RESIDUE CA A 3 source : AC7 36) chain A residue 75 type sequence Q description BINDING SITE FOR RESIDUE CA A 3 source : AC7 37) chain A residue 77 type sequence E description BINDING SITE FOR RESIDUE CA A 3 source : AC7 38) chain A residue 80 type sequence E description BINDING SITE FOR RESIDUE CA A 3 source : AC7 39) chain A residue 143 type sequence R description BINDING SITE FOR RESIDUE EDO B 903 source : AC8 40) chain A residue 148 type sequence K description BINDING SITE FOR RESIDUE EDO B 903 source : AC8 41) chain A residue 53-58 type prosite sequence LTAAHC description TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC source prosite : PS00134 42) chain A residue 189-200 type prosite sequence DACQGDSGGPHV description TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAcqGDSGGPHV source prosite : PS00135 43) chain A residue 57 type ACT_SITE sequence H description Charge relay system source Swiss-Prot : SWS_FT_FI1 44) chain A residue 102 type ACT_SITE sequence D description Charge relay system source Swiss-Prot : SWS_FT_FI1 45) chain A residue 195 type ACT_SITE sequence S description Charge relay system source Swiss-Prot : SWS_FT_FI1

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