eF-site ID 4cby-ABCD PDB Code 4cby Chain A, B, C, D click to enlarge Title Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease Classification HYDROLASE Compound HISTONE DEACETYLASE 4 Source Homo sapiens (Human) (HDAC4_HUMAN) Sequence A:  TTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQET GLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPANRQK LDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAAR LAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGF CYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFY SDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNM AFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSG FDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLAL EGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNAN AVRSMEKVMEIHSKYWRCLQ B:  FTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQE TGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPANRQ KLDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAA RLAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMG FCYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAF YSDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVN MAFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSS GFDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLA LEGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNA NAVRSMEKVMEIHSKYWRCL C:  TTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQET GLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPANRQK LDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAAR LAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGF CYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFY SDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNM AFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSG FDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLAL EGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNAN AVRSMEKVMEIHSKYWRCLQ D:  TTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQET GLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPANRQK LDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAAR LAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGF CYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFY SDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNM AFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSG FDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLAL EGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNAN AVRSMEKVMEIHSKYWRCLQRHH Description (1)  HISTONE DEACETYLASE 4 (E.C.3.5.1.98) Functional site 1) chain A residue 681 type sequence R description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 2) chain A residue 802 type sequence H description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 3) chain A residue 803 type sequence H description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 4) chain A residue 812 type sequence F description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 5) chain A residue 840 type sequence D description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 6) chain A residue 842 type sequence H description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 7) chain A residue 871 type sequence F description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 8) chain A residue 934 type sequence D description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 9) chain A residue 974 type sequence G description BINDING SITE FOR RESIDUE KEE A 2033 source : AC1 10) chain A residue 840 type sequence D description BINDING SITE FOR RESIDUE ZN A 2034 source : AC2 11) chain A residue 842 type sequence H description BINDING SITE FOR RESIDUE ZN A 2034 source : AC2 12) chain A residue 934 type sequence D description BINDING SITE FOR RESIDUE ZN A 2034 source : AC2 13) chain A residue 667 type sequence C description BINDING SITE FOR RESIDUE ZN A 2035 source : AC3 14) chain A residue 669 type sequence C description BINDING SITE FOR RESIDUE ZN A 2035 source : AC3 15) chain A residue 675 type sequence H description BINDING SITE FOR RESIDUE ZN A 2035 source : AC3 16) chain A residue 751 type sequence C description BINDING SITE FOR RESIDUE ZN A 2035 source : AC3 17) chain A residue 838 type sequence D description BINDING SITE FOR RESIDUE NA A 2036 source : AC4 18) chain A residue 840 type sequence D description BINDING SITE FOR RESIDUE NA A 2036 source : AC4 19) chain A residue 842 type sequence H description BINDING SITE FOR RESIDUE NA A 2036 source : AC4 20) chain A residue 861 type sequence S description BINDING SITE FOR RESIDUE NA A 2036 source : AC4 21) chain A residue 862 type sequence L description BINDING SITE FOR RESIDUE NA A 2036 source : AC4 22) chain A residue 851 type sequence F description BINDING SITE FOR RESIDUE NA A 2037 source : AC5 23) chain A residue 854 type sequence D description BINDING SITE FOR RESIDUE NA A 2037 source : AC5 24) chain A residue 857 type sequence V description BINDING SITE FOR RESIDUE NA A 2037 source : AC5 25) chain A residue 888 type sequence F description BINDING SITE FOR RESIDUE NA A 2037 source : AC5 26) chain B residue 681 type sequence R description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 27) chain B residue 802 type sequence H description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 28) chain B residue 803 type sequence H description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 29) chain B residue 812 type sequence F description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 30) chain B residue 840 type sequence D description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 31) chain B residue 842 type sequence H description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 32) chain B residue 871 type sequence F description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 33) chain B residue 934 type sequence D description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 34) chain B residue 974 type sequence G description BINDING SITE FOR RESIDUE KEE B 2032 source : AC6 35) chain B residue 840 type sequence D description BINDING SITE FOR RESIDUE ZN B 2033 source : AC7 36) chain B residue 842 type sequence H description BINDING SITE FOR RESIDUE ZN B 2033 source : AC7 37) chain B residue 934 type sequence D description BINDING SITE FOR RESIDUE ZN B 2033 source : AC7 38) chain B residue 667 type sequence C description BINDING SITE FOR RESIDUE ZN B 2034 source : AC8 39) chain B residue 669 type sequence C description BINDING SITE FOR RESIDUE ZN B 2034 source : AC8 40) chain B residue 675 type sequence H description BINDING SITE FOR RESIDUE ZN B 2034 source : AC8 41) chain B residue 751 type sequence C description BINDING SITE FOR RESIDUE ZN B 2034 source : AC8 42) chain B residue 838 type sequence D description BINDING SITE FOR RESIDUE NA B 2035 source : AC9 43) chain B residue 840 type sequence D description BINDING SITE FOR RESIDUE NA B 2035 source : AC9 44) chain B residue 842 type sequence H description BINDING SITE FOR RESIDUE NA B 2035 source : AC9 45) chain B residue 861 type sequence S description BINDING SITE FOR RESIDUE NA B 2035 source : AC9 46) chain B residue 862 type sequence L description BINDING SITE FOR RESIDUE NA B 2035 source : AC9 47) chain B residue 851 type sequence F description BINDING SITE FOR RESIDUE NA B 2036 source : BC1 48) chain B residue 854 type sequence D description BINDING SITE FOR RESIDUE NA B 2036 source : BC1 49) chain B residue 857 type sequence V description BINDING SITE FOR RESIDUE NA B 2036 source : BC1 50) chain B residue 888 type sequence F description BINDING SITE FOR RESIDUE NA B 2036 source : BC1 51) chain C residue 802 type sequence H description BINDING SITE FOR RESIDUE KEE C 2033 source : BC2 52) chain C residue 803 type sequence H description BINDING SITE FOR RESIDUE KEE C 2033 source : BC2 53) chain C residue 812 type sequence F description BINDING SITE FOR RESIDUE KEE C 2033 source : BC2 54) chain C residue 840 type sequence D description BINDING SITE FOR RESIDUE KEE C 2033 source : BC2 55) chain C residue 842 type sequence H description BINDING SITE FOR RESIDUE KEE C 2033 source : BC2 56) chain C residue 871 type sequence F description BINDING SITE FOR RESIDUE KEE C 2033 source : BC2 57) chain C residue 934 type sequence D description BINDING SITE FOR RESIDUE KEE C 2033 source : BC2 58) chain C residue 840 type sequence D description BINDING SITE FOR RESIDUE ZN C 2034 source : BC3 59) chain C residue 842 type sequence H description BINDING SITE FOR RESIDUE ZN C 2034 source : BC3 60) chain C residue 934 type sequence D description BINDING SITE FOR RESIDUE ZN C 2034 source : BC3 61) chain C residue 667 type sequence C description BINDING SITE FOR RESIDUE ZN C 2035 source : BC4 62) chain C residue 669 type sequence C description BINDING SITE FOR RESIDUE ZN C 2035 source : BC4 63) chain C residue 675 type sequence H description BINDING SITE FOR RESIDUE ZN C 2035 source : BC4 64) chain C residue 751 type sequence C description BINDING SITE FOR RESIDUE ZN C 2035 source : BC4 65) chain C residue 838 type sequence D description BINDING SITE FOR RESIDUE NA C 2036 source : BC5 66) chain C residue 840 type sequence D description BINDING SITE FOR RESIDUE NA C 2036 source : BC5 67) chain C residue 842 type sequence H description BINDING SITE FOR RESIDUE NA C 2036 source : BC5 68) chain C residue 861 type sequence S description BINDING SITE FOR RESIDUE NA C 2036 source : BC5 69) chain C residue 862 type sequence L description BINDING SITE FOR RESIDUE NA C 2036 source : BC5 70) chain C residue 851 type sequence F description BINDING SITE FOR RESIDUE NA C 2037 source : BC6 71) chain C residue 854 type sequence D description BINDING SITE FOR RESIDUE NA C 2037 source : BC6 72) chain C residue 857 type sequence V description BINDING SITE FOR RESIDUE NA C 2037 source : BC6 73) chain C residue 888 type sequence F description BINDING SITE FOR RESIDUE NA C 2037 source : BC6 74) chain B residue 696 type sequence G description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 75) chain D residue 677 type sequence E description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 76) chain D residue 681 type sequence R description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 77) chain D residue 802 type sequence H description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 78) chain D residue 803 type sequence H description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 79) chain D residue 812 type sequence F description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 80) chain D residue 840 type sequence D description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 81) chain D residue 842 type sequence H description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 82) chain D residue 871 type sequence F description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 83) chain D residue 934 type sequence D description BINDING SITE FOR RESIDUE KEE D 2036 source : BC7 84) chain D residue 840 type sequence D description BINDING SITE FOR RESIDUE ZN D 2037 source : BC8 85) chain D residue 842 type sequence H description BINDING SITE FOR RESIDUE ZN D 2037 source : BC8 86) chain D residue 934 type sequence D description BINDING SITE FOR RESIDUE ZN D 2037 source : BC8 87) chain D residue 667 type sequence C description BINDING SITE FOR RESIDUE ZN D 2038 source : BC9 88) chain D residue 669 type sequence C description BINDING SITE FOR RESIDUE ZN D 2038 source : BC9 89) chain D residue 675 type sequence H description BINDING SITE FOR RESIDUE ZN D 2038 source : BC9 90) chain D residue 751 type sequence C description BINDING SITE FOR RESIDUE ZN D 2038 source : BC9 91) chain D residue 838 type sequence D description BINDING SITE FOR RESIDUE NA D 2039 source : CC1 92) chain D residue 840 type sequence D description BINDING SITE FOR RESIDUE NA D 2039 source : CC1 93) chain D residue 842 type sequence H description BINDING SITE FOR RESIDUE NA D 2039 source : CC1 94) chain D residue 861 type sequence S description BINDING SITE FOR RESIDUE NA D 2039 source : CC1 95) chain D residue 862 type sequence L description BINDING SITE FOR RESIDUE NA D 2039 source : CC1 96) chain D residue 851 type sequence F description BINDING SITE FOR RESIDUE NA D 2040 source : CC2 97) chain D residue 854 type sequence D description BINDING SITE FOR RESIDUE NA D 2040 source : CC2 98) chain D residue 857 type sequence V description BINDING SITE FOR RESIDUE NA D 2040 source : CC2 99) chain D residue 888 type sequence F description BINDING SITE FOR RESIDUE NA D 2040 source : CC2 100) chain A residue 803 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 101) chain B residue 803 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 102) chain C residue 803 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 103) chain D residue 803 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 104) chain A residue 667 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 105) chain C residue 669 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 106) chain C residue 675 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 107) chain C residue 751 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 108) chain D residue 667 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 109) chain D residue 669 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 110) chain D residue 675 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 111) chain D residue 751 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 112) chain A residue 669 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 113) chain A residue 675 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 114) chain A residue 751 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 115) chain B residue 667 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 116) chain B residue 669 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 117) chain B residue 675 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 118) chain B residue 751 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 119) chain C residue 667 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2

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