eF-site ID 3qzq-ABCD PDB Code 3qzq Chain A, B, C, D click to enlarge Title Human enterovirus 71 3C protease mutant E71D in complex with rupintrivir Classification HYDROLASE/HYDROLASE INHIBITOR Compound 3C protein Source Enterovirus A71 (E7E815_9ENTO) Sequence A:  DFALSLLRRNVRQVQTDQGHFTMLGVRDRLAVLPRHSQPG KTIWIEHKLVNVLDAVELVDEQGVNLDLTLITLDTNEKFR DITKFIPENISTASDATLVINTEHMPSMFVPVGDVVQYGF LNLSGKPTHRTMMYNFPTKAGQCGGVVTSVGKIIGIHIGG NGRQGFCAGLKRSYFA B:  FALSLLRRNVRQVQTDQGHFTMLGVRDRLAVLPRHSQPGK TIWIEHKLVNVLDAVELVDEQGVNLDLTLITLDTNEKFRD ITKFIPENISTASDATLVINTEHMPSMFVPVGDVVQYGFL NLSGKPTHRTMMYNFPTKAGQCGGVVTSVGKIIGIHIGGN GRQGFCAGLKRSYFAS C:  SLDFALSLLRRNVRQVQTDQGHFTMLGVRDRLAVLPRHSQ PGKTIWIEHKLVNVLDAVELVDEQGVNLDLTLITLDTNEK FRDITKFIPENISTASDATLVINTEHMPSMFVPVGDVVQY GFLNLSGKPTHRTMMYNFPTKAGQCGGVVTSVGKIIGIHI GGNGRQGFCAGLKRSYFA D:  FALSLLRRNVRQVQTDQGHFTMLGVRDRLAVLPRHSQPGK TIWIEHKLVNVLDAVELVDEQGVNLDLTLITLDTNEKFRD ITKFIPENISTASDATLVINTEHMPSMFVPVGDVVQYGFL NLSGKPTHRTMMYNFPTKAGQCGGVVTSVGKIIGIHIGGN GRQGFCAGLKRSYFA Description Functional site 1) chain A residue 39 type sequence R description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 2) chain A residue 40 type sequence H description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 3) chain A residue 126 type sequence N description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 4) chain A residue 127 type sequence L description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 5) chain A residue 128 type sequence S description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 6) chain A residue 130 type sequence K description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 7) chain A residue 142 type sequence T description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 8) chain A residue 143 type sequence K description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 9) chain A residue 144 type sequence A description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 10) chain A residue 145 type sequence G description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 11) chain A residue 147 type sequence C description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 12) chain A residue 161 type sequence H description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 13) chain A residue 162 type sequence I description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 14) chain A residue 163 type sequence G description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 15) chain A residue 164 type sequence G description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 16) chain A residue 165 type sequence N description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 17) chain A residue 170 type sequence F description BINDING SITE FOR RESIDUE AG7 A 501 source : AC1 18) chain A residue 53 type sequence L description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 19) chain B residue 39 type sequence R description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 20) chain B residue 40 type sequence H description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 21) chain B residue 122 type sequence Y description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 22) chain B residue 125 type sequence L description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 23) chain B residue 126 type sequence N description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 24) chain B residue 127 type sequence L description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 25) chain B residue 128 type sequence S description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 26) chain B residue 130 type sequence K description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 27) chain B residue 142 type sequence T description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 28) chain B residue 143 type sequence K description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 29) chain B residue 144 type sequence A description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 30) chain B residue 145 type sequence G description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 31) chain B residue 147 type sequence C description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 32) chain B residue 161 type sequence H description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 33) chain B residue 162 type sequence I description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 34) chain B residue 163 type sequence G description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 35) chain B residue 164 type sequence G description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 36) chain B residue 165 type sequence N description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 37) chain B residue 170 type sequence F description BINDING SITE FOR RESIDUE AG7 B 501 source : AC2 38) chain C residue 39 type sequence R description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 39) chain C residue 40 type sequence H description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 40) chain C residue 125 type sequence L description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 41) chain C residue 126 type sequence N description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 42) chain C residue 127 type sequence L description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 43) chain C residue 128 type sequence S description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 44) chain C residue 130 type sequence K description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 45) chain C residue 142 type sequence T description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 46) chain C residue 143 type sequence K description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 47) chain C residue 144 type sequence A description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 48) chain C residue 145 type sequence G description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 49) chain C residue 147 type sequence C description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 50) chain C residue 161 type sequence H description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 51) chain C residue 162 type sequence I description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 52) chain C residue 163 type sequence G description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 53) chain C residue 164 type sequence G description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 54) chain C residue 165 type sequence N description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 55) chain C residue 170 type sequence F description BINDING SITE FOR RESIDUE AG7 C 501 source : AC3 56) chain D residue 39 type sequence R description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 57) chain D residue 40 type sequence H description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 58) chain D residue 125 type sequence L description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 59) chain D residue 126 type sequence N description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 60) chain D residue 127 type sequence L description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 61) chain D residue 128 type sequence S description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 62) chain D residue 130 type sequence K description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 63) chain D residue 142 type sequence T description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 64) chain D residue 143 type sequence K description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 65) chain D residue 144 type sequence A description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 66) chain D residue 145 type sequence G description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 67) chain D residue 147 type sequence C description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 68) chain D residue 161 type sequence H description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 69) chain D residue 162 type sequence I description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 70) chain D residue 163 type sequence G description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 71) chain D residue 164 type sequence G description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 72) chain D residue 165 type sequence N description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4 73) chain D residue 170 type sequence F description BINDING SITE FOR RESIDUE AG7 D 501 source : AC4

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