eF-site ID 3nf8-AB PDB Code 3nf8 Chain A, B click to enlarge Title Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design Classification HYDROLASE/HYDROLASE INHIBITOR Compound Integrase Source (Q76353_9HIV1) Sequence A:  SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQE TAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIK QEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAV QMAVFIHNHKRKGYSAGERIVDIIATDIQ B:  SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQE TAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIK QEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAV QMAVFIHNHKRKGYSAGERIVDIIATDIQ Description Functional site 1) chain A residue 66 type sequence T description BINDING SITE FOR RESIDUE SO4 A 2 source : AC1 2) chain A residue 67 type sequence H description BINDING SITE FOR RESIDUE SO4 A 2 source : AC1 3) chain A residue 111 type sequence K description BINDING SITE FOR RESIDUE SO4 A 2 source : AC1 4) chain A residue 159 type sequence K description BINDING SITE FOR RESIDUE SO4 A 2 source : AC1 5) chain A residue 71 type sequence K description BINDING SITE FOR RESIDUE SO4 A 4 source : AC2 6) chain A residue 171 type sequence H description BINDING SITE FOR RESIDUE SO4 A 4 source : AC2 7) chain A residue 172 type sequence L description BINDING SITE FOR RESIDUE SO4 A 4 source : AC2 8) chain A residue 94 type sequence G description BINDING SITE FOR RESIDUE SO4 A 5 source : AC3 9) chain A residue 123 type sequence S description BINDING SITE FOR RESIDUE SO4 A 5 source : AC3 10) chain A residue 124 type sequence T description BINDING SITE FOR RESIDUE SO4 A 5 source : AC3 11) chain A residue 125 type sequence T description BINDING SITE FOR RESIDUE SO4 A 5 source : AC3 12) chain A residue 106 type sequence G description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 13) chain A residue 107 type sequence R description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 14) chain A residue 108 type sequence W description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 15) chain A residue 109 type sequence P description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 16) chain A residue 204 type sequence I description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 17) chain A residue 207 type sequence D description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 18) chain A residue 208 type sequence I description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 19) chain B residue 185 type sequence H description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 20) chain B residue 195 type sequence S description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 21) chain B residue 197 type sequence G description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 22) chain B residue 198 type sequence E description BINDING SITE FOR RESIDUE CDQ A 225 source : AC4 23) chain A residue 79 type sequence V description BINDING SITE FOR RESIDUE CDQ A 247 source : AC5 24) chain A residue 82 type sequence G description BINDING SITE FOR RESIDUE CDQ A 247 source : AC5 25) chain A residue 84 type sequence I description BINDING SITE FOR RESIDUE CDQ A 247 source : AC5 26) chain A residue 150 type sequence V description BINDING SITE FOR RESIDUE CDQ A 247 source : AC5 27) chain A residue 154 type sequence M description BINDING SITE FOR RESIDUE CDQ A 247 source : AC5 28) chain A residue 157 type sequence E description BINDING SITE FOR RESIDUE CDQ A 247 source : AC5 29) chain A residue 183 type sequence H description BINDING SITE FOR RESIDUE CDQ A 247 source : AC5 30) chain A residue 169 type sequence A description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 31) chain A residue 170 type sequence E description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 32) chain A residue 171 type sequence H description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 33) chain A residue 174 type sequence T description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 34) chain A residue 178 type sequence M description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 35) chain B residue 95 type sequence Q description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 36) chain B residue 99 type sequence Y description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 37) chain B residue 125 type sequence T description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 38) chain B residue 128 type sequence A description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 39) chain B residue 132 type sequence W description BINDING SITE FOR RESIDUE CDQ A 267 source : AC6 40) chain A residue 185 type sequence H description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 41) chain A residue 195 type sequence S description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 42) chain A residue 197 type sequence G description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 43) chain A residue 198 type sequence E description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 44) chain B residue 106 type sequence G description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 45) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 46) chain B residue 108 type sequence W description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 47) chain B residue 109 type sequence P description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 48) chain B residue 204 type sequence I description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 49) chain B residue 207 type sequence D description BINDING SITE FOR RESIDUE CDQ A 277 source : AC7 50) chain A residue 85 type sequence E description BINDING SITE FOR RESIDUE ACY A 1 source : AC8 51) chain A residue 87 type sequence E description BINDING SITE FOR RESIDUE ACY A 1 source : AC8 52) chain A residue 100 type sequence F description BINDING SITE FOR RESIDUE ACY A 1 source : AC8 53) chain A residue 103 type sequence K description BINDING SITE FOR RESIDUE ACY A 1 source : AC8 54) chain A residue 104 type sequence L description BINDING SITE FOR RESIDUE ACY A 1 source : AC8 55) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE ACY A 1 source : AC8 56) chain B residue 66 type sequence T description BINDING SITE FOR RESIDUE SO4 B 1 source : AC9 57) chain B residue 67 type sequence H description BINDING SITE FOR RESIDUE SO4 B 1 source : AC9 58) chain B residue 111 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1 source : AC9 59) chain B residue 159 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1 source : AC9 60) chain B residue 71 type sequence K description BINDING SITE FOR RESIDUE SO4 B 3 source : BC1 61) chain B residue 171 type sequence H description BINDING SITE FOR RESIDUE SO4 B 3 source : BC1 62) chain B residue 172 type sequence L description BINDING SITE FOR RESIDUE SO4 B 3 source : BC1 63) chain A residue 186 type sequence K description BINDING SITE FOR RESIDUE SO4 B 6 source : BC2 64) chain B residue 94 type sequence G description BINDING SITE FOR RESIDUE SO4 B 6 source : BC2 65) chain B residue 123 type sequence S description BINDING SITE FOR RESIDUE SO4 B 6 source : BC2 66) chain B residue 124 type sequence T description BINDING SITE FOR RESIDUE SO4 B 6 source : BC2 67) chain B residue 125 type sequence T description BINDING SITE FOR RESIDUE SO4 B 6 source : BC2 68) chain A residue 95 type sequence Q description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 69) chain A residue 99 type sequence Y description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 70) chain A residue 125 type sequence T description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 71) chain A residue 128 type sequence A description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 72) chain A residue 132 type sequence W description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 73) chain B residue 169 type sequence A description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 74) chain B residue 170 type sequence E description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 75) chain B residue 171 type sequence H description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 76) chain B residue 173 type sequence K description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 77) chain B residue 174 type sequence T description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 78) chain B residue 178 type sequence M description BINDING SITE FOR RESIDUE CDQ B 235 source : BC3 79) chain B residue 62 type sequence Q description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 80) chain B residue 79 type sequence V description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 81) chain B residue 82 type sequence G description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 82) chain B residue 84 type sequence I description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 83) chain B residue 150 type sequence V description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 84) chain B residue 154 type sequence M description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 85) chain B residue 157 type sequence E description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 86) chain B residue 158 type sequence L description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 87) chain B residue 183 type sequence H description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 88) chain B residue 188 type sequence K description BINDING SITE FOR RESIDUE CDQ B 257 source : BC4 89) chain A residue 107 type sequence R description BINDING SITE FOR RESIDUE ACY B 2 source : BC5 90) chain B residue 85 type sequence E description BINDING SITE FOR RESIDUE ACY B 2 source : BC5 91) chain B residue 87 type sequence E description BINDING SITE FOR RESIDUE ACY B 2 source : BC5 92) chain B residue 100 type sequence F description BINDING SITE FOR RESIDUE ACY B 2 source : BC5 93) chain B residue 103 type sequence K description BINDING SITE FOR RESIDUE ACY B 2 source : BC5 94) chain A residue 64 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI1 95) chain A residue 116 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI1 96) chain B residue 64 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI1 97) chain B residue 116 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI1 98) chain A residue 152 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P04585 source Swiss-Prot : SWS_FT_FI2 99) chain B residue 152 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P04585 source Swiss-Prot : SWS_FT_FI2

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