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4CBT

Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease

Functional Information from GO Data
ChainGOidnamespacecontents
A0000118cellular_componenthistone deacetylase complex
A0004407molecular_functionhistone deacetylase activity
A0006325biological_processchromatin organization
A0016575biological_processhistone deacetylation
B0000118cellular_componenthistone deacetylase complex
B0004407molecular_functionhistone deacetylase activity
B0006325biological_processchromatin organization
B0016575biological_processhistone deacetylation
C0000118cellular_componenthistone deacetylase complex
C0004407molecular_functionhistone deacetylase activity
C0006325biological_processchromatin organization
C0016575biological_processhistone deacetylation
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 9F4 A 2035
ChainResidue
AASN726
AASP934
ALEU943
AGLY974
AZN2036
ALEU728
AVAL765
AHIS802
AHIS803
APHE812
AASP840
AHIS842
APHE871

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2036
ChainResidue
AASP840
AHIS842
AASP934
A9F42035

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ZN A 2037
ChainResidue
ACYS667
ACYS669
AHIS675

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 9F4 B 2034
ChainResidue
BARG681
BASN726
BHIS802
BHIS803
BPHE812
BASP840
BHIS842
BPHE871
BASP934
BPRO942
BGLY975
BZN2035

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2035
ChainResidue
BASP840
BHIS842
BASP934
B9F42034

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ZN B 2036
ChainResidue
BCYS667
BCYS669
BHIS675

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 9F4 C 2035
ChainResidue
CARG681
CASN726
CHIS802
CHIS803
CGLY811
CPHE812
CASP840
CHIS842
CPHE871
CASP934
CGLY974
CZN2036

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 2036
ChainResidue
CASP840
CHIS842
CASP934
C9F42035

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ZN C 2037
ChainResidue
CCYS667
CCYS669
CHIS675

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
AHIS803
BHIS803
CHIS803

site_idSWS_FT_FI2
Number of Residues12
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ACYS667
CCYS669
CHIS675
CCYS751
ACYS669
AHIS675
ACYS751
BCYS667
BCYS669
BHIS675
BCYS751
CCYS667

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PDB entries from 2024-07-17

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