eF-site ID 4chn-B PDB Code 4chn Chain B click to enlarge Title Interrogating HIV integrase for compounds that bind- a SAMPL challenge Classification TRANSFERASE Compound INTEGRASE Source Human immunodeficiency virus 1 (Q76353_9HIV1) Sequence B:  SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQE TAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIK QEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAV QMAVFIHNHKRKGYSAGERIVDIIATDIQ Description Functional site 1) chain B residue 66 type sequence T description BINDING SITE FOR RESIDUE SO4 B 1210 source : AC1 2) chain B residue 67 type sequence H description BINDING SITE FOR RESIDUE SO4 B 1210 source : AC1 3) chain B residue 111 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1210 source : AC1 4) chain B residue 136 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1210 source : AC1 5) chain B residue 159 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1210 source : AC1 6) chain B residue 71 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1211 source : AC3 7) chain B residue 166 type sequence R description BINDING SITE FOR RESIDUE SO4 B 1211 source : AC3 8) chain B residue 170 type sequence E description BINDING SITE FOR RESIDUE SO4 B 1211 source : AC3 9) chain B residue 171 type sequence H description BINDING SITE FOR RESIDUE SO4 B 1211 source : AC3 10) chain B residue 172 type sequence L description BINDING SITE FOR RESIDUE SO4 B 1211 source : AC3 11) chain B residue 169 type sequence A description BINDING SITE FOR RESIDUE SO4 B 1212 source : AC4 12) chain B residue 170 type sequence E description BINDING SITE FOR RESIDUE SO4 B 1212 source : AC4 13) chain B residue 171 type sequence H description BINDING SITE FOR RESIDUE SO4 B 1212 source : AC4 14) chain B residue 174 type sequence T description BINDING SITE FOR RESIDUE SO4 B 1212 source : AC4 15) chain B residue 85 type sequence E description BINDING SITE FOR RESIDUE ACT B 1213 source : AC6 16) chain B residue 86 type sequence A description BINDING SITE FOR RESIDUE ACT B 1213 source : AC6 17) chain B residue 87 type sequence E description BINDING SITE FOR RESIDUE ACT B 1213 source : AC6 18) chain B residue 100 type sequence F description BINDING SITE FOR RESIDUE ACT B 1213 source : AC6 19) chain B residue 103 type sequence K description BINDING SITE FOR RESIDUE ACT B 1213 source : AC6 20) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE ACT A 1212 source : AC7 21) chain B residue 185 type sequence H description BINDING SITE FOR RESIDUE EDO A 1214 source : AC9 22) chain B residue 187 type sequence R description BINDING SITE FOR RESIDUE EDO A 1214 source : AC9 23) chain B residue 94 type sequence G description BINDING SITE FOR RESIDUE EDO A 1215 source : BC1 24) chain B residue 94 type sequence G description BINDING SITE FOR RESIDUE GOL B 1214 source : BC3 25) chain B residue 95 type sequence Q description BINDING SITE FOR RESIDUE GOL B 1214 source : BC3 26) chain B residue 123 type sequence S description BINDING SITE FOR RESIDUE GOL B 1214 source : BC3 27) chain B residue 124 type sequence T description BINDING SITE FOR RESIDUE GOL B 1214 source : BC3 28) chain B residue 125 type sequence T description BINDING SITE FOR RESIDUE GOL B 1214 source : BC3 29) chain B residue 106 type sequence G description BINDING SITE FOR RESIDUE ONZ A 1217 source : BC4 30) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE ONZ A 1217 source : BC4 31) chain B residue 108 type sequence W description BINDING SITE FOR RESIDUE ONZ A 1217 source : BC4 32) chain B residue 109 type sequence P description BINDING SITE FOR RESIDUE ONZ A 1217 source : BC4 33) chain B residue 83 type sequence Y description BINDING SITE FOR RESIDUE ONZ B 1215 source : BC5 34) chain B residue 184 type sequence N description BINDING SITE FOR RESIDUE ONZ B 1215 source : BC5 35) chain B residue 185 type sequence H description BINDING SITE FOR RESIDUE ONZ B 1215 source : BC5 36) chain B residue 187 type sequence R description BINDING SITE FOR RESIDUE ONZ B 1215 source : BC5 37) chain B residue 195 type sequence S description BINDING SITE FOR RESIDUE ONZ B 1215 source : BC5 38) chain B residue 197 type sequence G description BINDING SITE FOR RESIDUE ONZ B 1215 source : BC5 39) chain B residue 198 type sequence E description BINDING SITE FOR RESIDUE ONZ B 1215 source : BC5 40) chain B residue 201 type sequence V description BINDING SITE FOR RESIDUE ONZ B 1215 source : BC5

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