eF-site ID 4cbt-ABC PDB Code 4cbt Chain A, B, C 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:  PRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRL QETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLS DTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVR PPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVD WDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPD EVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPI ASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTK QLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNELL QQRPNANAVRSMEKVMEIHSKYWRCLQRH B:  KPRFTTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSR LQETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPS DTIWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVR PPGHHAEESTPMGFCYFNSVAVAAKLLQQRLSVSKILIVD WDVHHGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPD EVGTGPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPI ASEFAPDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTK QLMGLAGGRIVLALEGGHDLTAICDASEACVSALLGNDPL PEKVLQQRPNANAVRSMEKVMEIHSKYWRCLQ C:  GSTKPRFTTGLVYDTLMLKHQCTCSHPEHAGRIQSIWSRL QETGLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPLT IWNEVHSAGAARLAVGCVVELVFKVATGELKNGFAVVRPP GHHAEESTPMGFCYFNSVAVAAKLLQQRLSKILIVDWDVH HGNGTQQAFYSDPSVLYMSLHRYDDGNFFPGSGAPDEVGT GPGVGFNVNMAFTGGLDPPMGDAEYLAAFRTVVMPIASEF APDVVLVSSGFDAVEGHPTPLGGYNLSARCFGYLTKQLMG LAGGRIVLALEGGHDLTAICDASEACVSALLGNEKVLQQR PNANAVRSMEKVMEIHSKYWRCLQRH Description (1)  HISTONE DEACETYLASE 4 (E.C.3.5.1.98) Functional site 1) chain A residue 726 type sequence N description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 2) chain A residue 728 type sequence L description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 3) chain A residue 765 type sequence V description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 4) chain A residue 802 type sequence H description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 5) chain A residue 803 type sequence H description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 6) chain A residue 812 type sequence F description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 7) chain A residue 840 type sequence D description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 8) chain A residue 842 type sequence H description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 9) chain A residue 871 type sequence F description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 10) chain A residue 934 type sequence D description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 11) chain A residue 943 type sequence L description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 12) chain A residue 974 type sequence G description BINDING SITE FOR RESIDUE 9F4 A 2035 source : AC1 13) chain A residue 840 type sequence D description BINDING SITE FOR RESIDUE ZN A 2036 source : AC2 14) chain A residue 842 type sequence H description BINDING SITE FOR RESIDUE ZN A 2036 source : AC2 15) chain A residue 934 type sequence D description BINDING SITE FOR RESIDUE ZN A 2036 source : AC2 16) chain A residue 667 type sequence C description BINDING SITE FOR RESIDUE ZN A 2037 source : AC3 17) chain A residue 669 type sequence C description BINDING SITE FOR RESIDUE ZN A 2037 source : AC3 18) chain A residue 675 type sequence H description BINDING SITE FOR RESIDUE ZN A 2037 source : AC3 19) chain B residue 681 type sequence R description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 20) chain B residue 726 type sequence N description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 21) chain B residue 802 type sequence H description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 22) chain B residue 803 type sequence H description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 23) chain B residue 812 type sequence F description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 24) chain B residue 840 type sequence D description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 25) chain B residue 842 type sequence H description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 26) chain B residue 871 type sequence F description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 27) chain B residue 934 type sequence D description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 28) chain B residue 942 type sequence P description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 29) chain B residue 975 type sequence G description BINDING SITE FOR RESIDUE 9F4 B 2034 source : AC4 30) chain B residue 840 type sequence D description BINDING SITE FOR RESIDUE ZN B 2035 source : AC5 31) chain B residue 842 type sequence H description BINDING SITE FOR RESIDUE ZN B 2035 source : AC5 32) chain B residue 934 type sequence D description BINDING SITE FOR RESIDUE ZN B 2035 source : AC5 33) chain B residue 667 type sequence C description BINDING SITE FOR RESIDUE ZN B 2036 source : AC6 34) chain B residue 669 type sequence C description BINDING SITE FOR RESIDUE ZN B 2036 source : AC6 35) chain B residue 675 type sequence H description BINDING SITE FOR RESIDUE ZN B 2036 source : AC6 36) chain C residue 681 type sequence R description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 37) chain C residue 726 type sequence N description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 38) chain C residue 802 type sequence H description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 39) chain C residue 803 type sequence H description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 40) chain C residue 811 type sequence G description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 41) chain C residue 812 type sequence F description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 42) chain C residue 840 type sequence D description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 43) chain C residue 842 type sequence H description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 44) chain C residue 871 type sequence F description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 45) chain C residue 934 type sequence D description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 46) chain C residue 974 type sequence G description BINDING SITE FOR RESIDUE 9F4 C 2035 source : AC7 47) chain C residue 840 type sequence D description BINDING SITE FOR RESIDUE ZN C 2036 source : AC8 48) chain C residue 842 type sequence H description BINDING SITE FOR RESIDUE ZN C 2036 source : AC8 49) chain C residue 934 type sequence D description BINDING SITE FOR RESIDUE ZN C 2036 source : AC8 50) chain C residue 667 type sequence C description BINDING SITE FOR RESIDUE ZN C 2037 source : AC9 51) chain C residue 669 type sequence C description BINDING SITE FOR RESIDUE ZN C 2037 source : AC9 52) chain C residue 675 type sequence H description BINDING SITE FOR RESIDUE ZN C 2037 source : AC9 53) chain A residue 803 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 54) chain B residue 803 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 55) chain C residue 803 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1 56) chain A residue 667 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 57) chain A residue 669 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 58) chain A residue 675 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 59) chain B residue 667 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 60) chain B residue 669 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 61) chain B residue 675 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 62) chain C residue 667 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 63) chain C residue 669 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 64) chain C residue 675 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2

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