eF-site ID 5a2s-B PDB Code 5a2s Chain B click to enlarge Title Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors Classification HYDROLASE Compound HISTONE DEACETYLASE 4 Source Homo sapiens (Human) (HDAC4_HUMAN) Sequence B:  TTGLVYDTLMLKHQCTCGSSSSHPEHAGRIQSIWSRLQET GLRGKCECIRGRKATLEELQTVHSEAHTLLYGTNPANRQK LDSKKLLGSLASVFVRLPCGGVGVDSDTIWNEVHSAGAAR LAVGCVVELVFKVATGELKNGFAVVRPPGHHAEESTPMGF CYFNSVAVAAKLLQQRLSVSKILIVDWDVHHGNGTQQAFY SDPSVLYMSLHRYDDGNFFPGSGAPDEVGTGPGVGFNVNM AFTGGLDPPMGDAEYLAAFRTVVMPIASEFAPDVVLVSSG FDAVEGHPTPLGGYNLSARCFGYLTKQLMGLAGGRIVLAL EGGHDLTAICDASEACVSALLGNELDPLPEKVLQQRPNAN AVRSMEKVMEIHSKYWRCLQ Description Functional site 1) chain B residue 802 type sequence H description BINDING SITE FOR RESIDUE OTF B 1 source : AC5 2) chain B residue 803 type sequence H description BINDING SITE FOR RESIDUE OTF B 1 source : AC5 3) chain B residue 812 type sequence F description BINDING SITE FOR RESIDUE OTF B 1 source : AC5 4) chain B residue 840 type sequence D description BINDING SITE FOR RESIDUE OTF B 1 source : AC5 5) chain B residue 842 type sequence H description BINDING SITE FOR RESIDUE OTF B 1 source : AC5 6) chain B residue 871 type sequence F description BINDING SITE FOR RESIDUE OTF B 1 source : AC5 7) chain B residue 934 type sequence D description BINDING SITE FOR RESIDUE OTF B 1 source : AC5 8) chain B residue 975 type sequence G description BINDING SITE FOR RESIDUE OTF B 1 source : AC5 9) chain B residue 840 type sequence D description BINDING SITE FOR RESIDUE ZN B 2 source : AC6 10) chain B residue 842 type sequence H description BINDING SITE FOR RESIDUE ZN B 2 source : AC6 11) chain B residue 934 type sequence D description BINDING SITE FOR RESIDUE ZN B 2 source : AC6 12) chain B residue 667 type sequence C description BINDING SITE FOR RESIDUE ZN B 3 source : AC7 13) chain B residue 669 type sequence C description BINDING SITE FOR RESIDUE ZN B 3 source : AC7 14) chain B residue 675 type sequence H description BINDING SITE FOR RESIDUE ZN B 3 source : AC7 15) chain B residue 751 type sequence C description BINDING SITE FOR RESIDUE ZN B 3 source : AC7 16) chain B residue 838 type sequence D description BINDING SITE FOR RESIDUE NA B 4 source : AC8 17) chain B residue 840 type sequence D description BINDING SITE FOR RESIDUE NA B 4 source : AC8 18) chain B residue 842 type sequence H description BINDING SITE FOR RESIDUE NA B 4 source : AC8 19) chain B residue 861 type sequence S description BINDING SITE FOR RESIDUE NA B 4 source : AC8 20) chain B residue 862 type sequence L description BINDING SITE FOR RESIDUE NA B 4 source : AC8 21) chain B residue 667 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 22) chain B residue 669 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 23) chain B residue 675 type BINDING sequence H description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 24) chain B residue 751 type BINDING sequence C description BINDING => ECO:0000250 source Swiss-Prot : SWS_FT_FI2 25) chain B residue 803 type ACT_SITE sequence H description ACT_SITE => ECO:0000250 source Swiss-Prot : SWS_FT_FI1

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