PDB entry 6fyz

View 6fyz on RCSB PDB site
Description: Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor
Class: hydrolase
Keywords: Hydroxamic acid, CNS-penetrant, HDAC4 inhibition, Class IIa HDAC inhibitor, HYDROLASE
Deposited on 2018-03-13, released 2018-12-05
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-12-05, with a file datestamp of 2018-11-30.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Histone deacetylase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: HDAC4, KIAA0288
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56524 (Start-388)
      • expression tag (389)
    Domains in SCOPe 2.07: d6fyza1, d6fyza2
  • Chain 'B':
    Compound: Histone deacetylase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: HDAC4, KIAA0288
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d6fyzb_
  • Chain 'C':
    Compound: Histone deacetylase 4
    Species: Homo sapiens [TaxId:9606]
    Gene: HDAC4, KIAA0288
    Database cross-references and differences (RAF-indexed):
    • Uniprot P56524 (3-388)
      • expression tag (1-2)
      • expression tag (389)
    Domains in SCOPe 2.07: d6fyzc1, d6fyzc2, d6fyzc3
  • Heterogens: EBE, ZN, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6fyzA (A:)
    mgstkprfttglvydtlmlkhqctcgsssshpehagriqsiwsrlqetglrgkcecirgr
    katleelqtvhseahtllygtnplnrqkldskkllgslasvfvrlpcggvgvdsdtiwne
    vhsagaarlavgcvvelvfkvatgelkngfavvrppghhaeestpmgfcyfnsvavaakl
    lqqrlsvskilivdwdvhhgngtqqafysdpsvlymslhryddgnffpgsgapdevgtgp
    gvgfnvnmaftggldppmgdaeylaafrtvvmpiasefapdvvlvssgfdaveghptplg
    gynlsarcfgyltkqlmglaggrivlalegghdltaicdaseacvsallgneldplpekv
    lqqrpnanavrsmekvmeihskywrclqrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fyzA (A:)
    prfttglvydtlmlkhqctcgsssshpehagriqsiwsrlqetglrgkcecirgrkatle
    elqtvhseahtllygtnpliwnevhsagaarlavgcvvelvfkvatgelkngfavvrppg
    hhaeestpmgfcyfnsvavaakllqqrlsvskilivdwdvhhgngtqqafysdpsvlyms
    lhryddgnffpgsgapdevgtgpgvgfnvnmaftggldppmgdaeylaafrtvvmpiase
    fapdvvlvssgfdaveghptplggynlsarcfgyltkqlmglaggrivlalegghdltai
    cdaseacvsallgnelqqrpnanavrsmekvmeihskywrclqrh
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6fyzB (B:)
    mgstkprfttglvydtlmlkhqctcgsssshpehagriqsiwsrlqetglrgkcecirgr
    katleelqtvhseahtllygtnplnrqkldskkllgslasvfvrlpcggvgvdsdtiwne
    vhsagaarlavgcvvelvfkvatgelkngfavvrppghhaeestpmgfcyfnsvavaakl
    lqqrlsvskilivdwdvhhgngtqqafysdpsvlymslhryddgnffpgsgapdevgtgp
    gvgfnvnmaftggldppmgdaeylaafrtvvmpiasefapdvvlvssgfdaveghptplg
    gynlsarcfgyltkqlmglaggrivlalegghdltaicdaseacvsallgneldplpekv
    lqqrpnanavrsmekvmeihskywrclqrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fyzB (B:)
    prfttglvydtlmlkhqctcgsssshpehagriqsiwsrlqetglrgkcecirgrkatle
    elqtvhseahtllygtnplnrrlpcggvgvdsdtiwnevhsagaarlavgcvvelvfkva
    tgelkngfavvrppghhaeestpmgfcyfnsvavaakllqqrlsvskilivdwdvhhgng
    tqqafysdpsvlymslhryddgnffpgsgapdevgtgpgvgfnvnmaftggldppmgdae
    ylaafrtvvmpiasefapdvvlvssgfdaveghptplggynlsarcfgyltkqlmglagg
    rivlalegghdltaicdaseacvsallgndplpekvlqqrpnanavrsmekvmeihskyw
    rclq
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6fyzC (C:)
    mgstkprfttglvydtlmlkhqctcgsssshpehagriqsiwsrlqetglrgkcecirgr
    katleelqtvhseahtllygtnplnrqkldskkllgslasvfvrlpcggvgvdsdtiwne
    vhsagaarlavgcvvelvfkvatgelkngfavvrppghhaeestpmgfcyfnsvavaakl
    lqqrlsvskilivdwdvhhgngtqqafysdpsvlymslhryddgnffpgsgapdevgtgp
    gvgfnvnmaftggldppmgdaeylaafrtvvmpiasefapdvvlvssgfdaveghptplg
    gynlsarcfgyltkqlmglaggrivlalegghdltaicdaseacvsallgneldplpekv
    lqqrpnanavrsmekvmeihskywrclqrhhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >6fyzC (C:)
    gstkprfttglvydtlmlkhqctcshpehagriqsiwsrlqetglrgkcecirgrkatle
    elqtvhseahtllygtnplntiwnevhsagaarlavgcvvelvfkvatgelkngfavvrp
    pghhaeestpmgfcyfnsvavaakllqqrlsvskilivdwdvhhgngtqqafysdpsvly
    mslhryddgnffpgsgapdevgtgpgvgfnvnmaftggldppmgdaeylaafrtvvmpia
    sefapdvvlvssgfdaveghptplggynlsarcfgyltkqlmglaggrivlalegghdlt
    aicdaseacvsallgnekvlqqrpnanavrsmekvmeihskywrclqrh