eF-site ID 4fcr-A PDB Code 4fcr Chain A click to enlarge Title Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization Classification CHAPERONE/CHAPERONE INHIBITOR Compound Heat shock protein HSP 90-alpha Source Homo sapiens (Human) (HS90A_HUMAN) Sequence A:  EVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDA LDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTG IGMTKADLINNLGTIASGTKAFMEALQAGADISMIGQFGV GFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDT GEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGY PITLFVE Description Functional site 1) chain A residue 48 type sequence L description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 2) chain A residue 51 type sequence N description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 3) chain A residue 52 type sequence S description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 4) chain A residue 55 type sequence A description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 5) chain A residue 58 type sequence K description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 6) chain A residue 93 type sequence D description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 7) chain A residue 97 type sequence G description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 8) chain A residue 98 type sequence M description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 9) chain A residue 106 type sequence N description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 10) chain A residue 107 type sequence L description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 11) chain A residue 138 type sequence F description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 12) chain A residue 184 type sequence T description BINDING SITE FOR RESIDUE 0TM A 301 source : AC1 13) chain A residue 51 type BINDING sequence N description source Swiss-Prot : SWS_FT_FI1 14) chain A residue 93 type BINDING sequence D description source Swiss-Prot : SWS_FT_FI1 15) chain A residue 138 type BINDING sequence F description source Swiss-Prot : SWS_FT_FI1 16) chain A residue 38-47 type prosite sequence YSNKEIFLRE description HSP90 Heat shock hsp90 proteins family signature. YsNKEIFLRE source prosite : PS00298 17) chain A residue 58 type MOD_RES sequence K description N6-acetyllysine => ECO:0000250|UniProtKB:P07901 source Swiss-Prot : SWS_FT_FI4 18) chain A residue 84 type MOD_RES sequence K description N6-acetyllysine => ECO:0000250|UniProtKB:P07901 source Swiss-Prot : SWS_FT_FI4

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