eF-site ID 3nf9-B PDB Code 3nf9 Chain 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 B:  SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQE TAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIK QEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAV QMAVFIHNHKRKGYSAGERIVDIIATDIQ Description Functional site 1) chain B residue 103 type sequence K description BINDING SITE FOR RESIDUE SO4 A 10 source : AC5 2) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE SO4 A 10 source : AC5 3) chain B residue 186 type sequence K description BINDING SITE FOR RESIDUE EDO A 1 source : AC7 4) chain B residue 187 type sequence R description BINDING SITE FOR RESIDUE EDO A 1 source : AC7 5) chain B residue 93 type sequence T description BINDING SITE FOR RESIDUE EDO A 213 source : AC8 6) chain B residue 94 type sequence G description BINDING SITE FOR RESIDUE EDO A 213 source : AC8 7) chain B residue 105 type sequence A description BINDING SITE FOR RESIDUE ACY A 214 source : AC9 8) chain B residue 106 type sequence G description BINDING SITE FOR RESIDUE ACY A 214 source : AC9 9) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE ACY A 214 source : AC9 10) chain B residue 108 type sequence W description BINDING SITE FOR RESIDUE ACY A 214 source : AC9 11) chain B residue 187 type sequence R description BINDING SITE FOR RESIDUE ACY A 215 source : BC1 12) chain B residue 66 type sequence T description BINDING SITE FOR RESIDUE SO4 B 1 source : BC2 13) chain B residue 67 type sequence H description BINDING SITE FOR RESIDUE SO4 B 1 source : BC2 14) chain B residue 111 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1 source : BC2 15) chain B residue 136 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1 source : BC2 16) chain B residue 159 type sequence K description BINDING SITE FOR RESIDUE SO4 B 1 source : BC2 17) chain B residue 71 type sequence K description BINDING SITE FOR RESIDUE SO4 B 3 source : BC3 18) chain B residue 171 type sequence H description BINDING SITE FOR RESIDUE SO4 B 3 source : BC3 19) chain B residue 172 type sequence L description BINDING SITE FOR RESIDUE SO4 B 3 source : BC3 20) chain B residue 94 type sequence G description BINDING SITE FOR RESIDUE SO4 B 6 source : BC4 21) chain B residue 123 type sequence S description BINDING SITE FOR RESIDUE SO4 B 6 source : BC4 22) chain B residue 124 type sequence T description BINDING SITE FOR RESIDUE SO4 B 6 source : BC4 23) chain B residue 125 type sequence T description BINDING SITE FOR RESIDUE SO4 B 6 source : BC4 24) chain B residue 169 type sequence A description BINDING SITE FOR RESIDUE SO4 B 7 source : BC5 25) chain B residue 170 type sequence E description BINDING SITE FOR RESIDUE SO4 B 7 source : BC5 26) chain B residue 171 type sequence H description BINDING SITE FOR RESIDUE SO4 B 7 source : BC5 27) chain B residue 174 type sequence T description BINDING SITE FOR RESIDUE SO4 B 7 source : BC5 28) chain B residue 85 type sequence E description BINDING SITE FOR RESIDUE SO4 B 9 source : BC6 29) chain B residue 87 type sequence E description BINDING SITE FOR RESIDUE SO4 B 9 source : BC6 30) chain B residue 103 type sequence K description BINDING SITE FOR RESIDUE SO4 B 9 source : BC6 31) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE SO4 B 9 source : BC6 32) chain B residue 83 type sequence Y description BINDING SITE FOR RESIDUE SO4 B 11 source : BC7 33) chain B residue 85 type sequence E description BINDING SITE FOR RESIDUE SO4 B 11 source : BC7 34) chain B residue 107 type sequence R description BINDING SITE FOR RESIDUE SO4 B 11 source : BC7 35) chain B residue 108 type sequence W description BINDING SITE FOR RESIDUE SO4 B 11 source : BC7 36) chain B residue 79 type sequence V description BINDING SITE FOR RESIDUE CD9 B 213 source : BC8 37) chain B residue 82 type sequence G description BINDING SITE FOR RESIDUE CD9 B 213 source : BC8 38) chain B residue 150 type sequence V description BINDING SITE FOR RESIDUE CD9 B 213 source : BC8 39) chain B residue 151 type sequence I description BINDING SITE FOR RESIDUE CD9 B 213 source : BC8 40) chain B residue 153 type sequence S description BINDING SITE FOR RESIDUE CD9 B 213 source : BC8 41) chain B residue 154 type sequence M description BINDING SITE FOR RESIDUE CD9 B 213 source : BC8 42) chain B residue 157 type sequence E description BINDING SITE FOR RESIDUE CD9 B 213 source : BC8 43) chain B residue 183 type sequence H description BINDING SITE FOR RESIDUE CD9 B 213 source : BC8 44) chain B residue 171 type sequence H description BINDING SITE FOR RESIDUE ACY B 214 source : BC9 45) chain B residue 173 type sequence K description BINDING SITE FOR RESIDUE ACY B 214 source : BC9 46) chain B residue 174 type sequence T description BINDING SITE FOR RESIDUE ACY B 214 source : BC9 47) chain B residue 83 type sequence Y description BINDING SITE FOR RESIDUE ACY B 215 source : CC1 48) chain B residue 184 type sequence N description BINDING SITE FOR RESIDUE ACY B 215 source : CC1 49) chain B residue 185 type sequence H description BINDING SITE FOR RESIDUE ACY B 215 source : CC1 50) chain B residue 197 type sequence G description BINDING SITE FOR RESIDUE ACY B 215 source : CC1 51) chain B residue 67 type sequence H description BINDING SITE FOR RESIDUE ACY B 5 source : CC2 52) chain B residue 72 type sequence V description BINDING SITE FOR RESIDUE ACY B 5 source : CC2 53) chain B residue 92 type sequence E description BINDING SITE FOR RESIDUE ACY B 5 source : CC2 54) chain B residue 168 type sequence Q description BINDING SITE FOR RESIDUE ACY B 216 source : CC3 55) chain B residue 178 type sequence M description BINDING SITE FOR RESIDUE ACY B 216 source : CC3 56) chain B residue 64 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI1 57) chain B residue 116 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI1 58) chain B residue 152 type BINDING sequence E description BINDING => ECO:0000250|UniProtKB:P04585 source Swiss-Prot : SWS_FT_FI2

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