eF-site ID 2wi3-A PDB Code 2wi3 Chain A click to enlarge Title Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone Classification CHAPERONE Compound HEAT SHOCK PROTEIN, HSP 90-ALPHA Source Homo sapiens (Human) (HS90A_HUMAN) Sequence A:  EVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDA LDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTG IGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFG VGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTD TGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIG YPITLFVEK Description (1)  HEAT SHOCK PROTEIN, HSP 90-ALPHA Functional site 1) chain A residue 110 type ligand sequence I description BINDING SITE FOR RESIDUE MG A 1224 source : AC1 2) chain A residue 113 type ligand sequence S description BINDING SITE FOR RESIDUE MG A 1224 source : AC1 3) chain A residue 48 type ligand sequence L description BINDING SITE FOR RESIDUE ZZ3 A 1225 source : AC2 4) chain A residue 51 type ligand sequence N description BINDING SITE FOR RESIDUE ZZ3 A 1225 source : AC2 5) chain A residue 55 type ligand sequence A description BINDING SITE FOR RESIDUE ZZ3 A 1225 source : AC2 6) chain A residue 93 type ligand sequence D description BINDING SITE FOR RESIDUE ZZ3 A 1225 source : AC2 7) chain A residue 107 type ligand sequence L description BINDING SITE FOR RESIDUE ZZ3 A 1225 source : AC2 8) chain A residue 109 type ligand sequence T description BINDING SITE FOR RESIDUE ZZ3 A 1225 source : AC2 9) chain A residue 184 type ligand sequence T description BINDING SITE FOR RESIDUE ZZ3 A 1225 source : AC2 10) chain A residue 186 type ligand sequence V description BINDING SITE FOR RESIDUE ZZ3 A 1225 source : AC2 11) chain A residue 51 type BINDING ligand sequence N description ATP. source Swiss-Prot : SWS_FT_FI1 12) chain A residue 93 type BINDING ligand sequence D description ATP. source Swiss-Prot : SWS_FT_FI1 13) chain A residue 138 type BINDING ligand sequence F description ATP; via amide nitrogen. source Swiss-Prot : SWS_FT_FI2 14) chain A residue 112 type BINDING ligand sequence K description ATP (By similarity). source Swiss-Prot : SWS_FT_FI3 15) chain A residue 38-47 type prosite ligand sequence YSNKEIFLRE description Heat shock hsp90 proteins family signature. Y-x-[NQHD]-[KHR]-[DE]-[IVA]-F-[LM]-R-[ED] source prosite : PS00298 16) chain A residue 48 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence L description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 17) chain A residue 51-52 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence NS description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 18) chain A residue 55 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence A description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 19) chain A residue 93 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence D description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 20) chain A residue 98 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence M description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 21) chain A residue 107 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence L description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 22) chain A residue 109 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence T description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 23) chain A residue 138 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence F description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 24) chain A residue 184 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence T description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225 25) chain A residue 186 type binding ligand ZZ3: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE sequence V description 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE binding site source pdb_hetatom : ZZ3_2wi3_A_1225

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