eF-site ID 3ao1-AB PDB Code 3ao1 Chain A, B click to enlarge Title Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase Classification VIRAL PROTEIN/TRANSFERASE INHIBITOR Compound POL polyprotein Source Human immunodeficiency virus 1 (Q72498_9HIV1) Sequence A:  SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQE TAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACDWAGIK QEDGIPSMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNHK RKGGIGGYSAGERIVDIIATD B:  SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQE TAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACDWAGIK QEGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNHK RKGGIGGYSAGERIVDIIATDI Description Functional site 1) chain A residue 65 type sequence C description BINDING SITE FOR RESIDUE CD A 1003 source : AC1 2) chain A residue 67 type sequence H description BINDING SITE FOR RESIDUE CD A 1003 source : AC1 3) chain A residue 92 type sequence E description BINDING SITE FOR RESIDUE CD A 1003 source : AC1 4) chain B residue 131 type sequence D description BINDING SITE FOR RESIDUE CD A 1003 source : AC1 5) chain A residue 65 type sequence C description BINDING SITE FOR RESIDUE CD A 1004 source : AC2 6) chain A residue 92 type sequence E description BINDING SITE FOR RESIDUE CD A 1004 source : AC2 7) chain A residue 116 type sequence D description BINDING SITE FOR RESIDUE CD A 1004 source : AC2 8) chain B residue 131 type sequence D description BINDING SITE FOR RESIDUE CD A 1004 source : AC2 9) chain A residue 69 type sequence E description BINDING SITE FOR RESIDUE SO4 A 1 source : AC3 10) chain A residue 71 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1 source : AC3 11) chain A residue 166 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1 source : AC3 12) chain A residue 170 type sequence E description BINDING SITE FOR RESIDUE SO4 A 1 source : AC3 13) chain A residue 171 type sequence H description BINDING SITE FOR RESIDUE SO4 A 1 source : AC3 14) chain A residue 172 type sequence L description BINDING SITE FOR RESIDUE SO4 A 1 source : AC3 15) chain A residue 187 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1 source : AC3 16) chain A residue 83 type sequence Y description BINDING SITE FOR RESIDUE BZX A 213 source : AC4 17) chain A residue 184 type sequence N description BINDING SITE FOR RESIDUE BZX A 213 source : AC4 18) chain A residue 185 type sequence H description BINDING SITE FOR RESIDUE BZX A 213 source : AC4 19) chain A residue 197 type sequence G description BINDING SITE FOR RESIDUE BZX A 213 source : AC4 20) chain A residue 201 type sequence V description BINDING SITE FOR RESIDUE BZX A 213 source : AC4 21) chain B residue 106 type sequence G description BINDING SITE FOR RESIDUE BZX A 213 source : AC4 22) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE BZX A 213 source : AC4 23) chain B residue 109 type sequence P description BINDING SITE FOR RESIDUE BZX A 213 source : AC4 24) chain A residue 70 type sequence G description BINDING SITE FOR RESIDUE BZX A 214 source : AC5 25) chain A residue 185 type sequence H description BINDING SITE FOR RESIDUE BZX A 214 source : AC5 26) chain B residue 109 type sequence P description BINDING SITE FOR RESIDUE BZX A 214 source : AC5 27) chain B residue 65 type sequence C description BINDING SITE FOR RESIDUE CD B 1001 source : AC6 28) chain B residue 92 type sequence E description BINDING SITE FOR RESIDUE CD B 1001 source : AC6 29) chain B residue 116 type sequence D description BINDING SITE FOR RESIDUE CD B 1001 source : AC6 30) chain B residue 65 type sequence C description BINDING SITE FOR RESIDUE CD B 1002 source : AC7 31) chain B residue 67 type sequence H description BINDING SITE FOR RESIDUE CD B 1002 source : AC7 32) chain B residue 92 type sequence E description BINDING SITE FOR RESIDUE CD B 1002 source : AC7 33) chain A residue 106 type sequence G description BINDING SITE FOR RESIDUE BZX B 1 source : AC8 34) chain A residue 107 type sequence R description BINDING SITE FOR RESIDUE BZX B 1 source : AC8 35) chain A residue 108 type sequence W description BINDING SITE FOR RESIDUE BZX B 1 source : AC8 36) chain A residue 109 type sequence P description BINDING SITE FOR RESIDUE BZX B 1 source : AC8 37) chain B residue 83 type sequence Y description BINDING SITE FOR RESIDUE BZX B 1 source : AC8 38) chain B residue 184 type sequence N description BINDING SITE FOR RESIDUE BZX B 1 source : AC8 39) chain B residue 185 type sequence H description BINDING SITE FOR RESIDUE BZX B 1 source : AC8 40) chain B residue 197 type sequence G description BINDING SITE FOR RESIDUE BZX B 1 source : AC8 41) chain B residue 198 type sequence E description BINDING SITE FOR RESIDUE BZX B 1 source : AC8

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