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4CBY

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
D0000118cellular_componenthistone deacetylase complex
D0004407molecular_functionhistone deacetylase activity
D0006325biological_processchromatin organization
D0016575biological_processhistone deacetylation
Functional Information from PDB Data
site_idAC1
Number of Residues11
DetailsBINDING SITE FOR RESIDUE KEE A 2033
ChainResidue
AARG681
AHOH2021
AZN2034
AHIS802
AHIS803
APHE812
AASP840
AHIS842
APHE871
AASP934
AGLY974

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2034
ChainResidue
AASP840
AHIS842
AASP934
AKEE2033

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 2035
ChainResidue
ACYS667
ACYS669
AHIS675
ACYS751

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 2036
ChainResidue
AASP838
AASP840
AHIS842
ASER861
ALEU862

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 2037
ChainResidue
APHE851
AASP854
AVAL857
APHE888

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE KEE B 2032
ChainResidue
BARG681
BHIS802
BHIS803
BPHE812
BASP840
BHIS842
BPHE871
BASP934
BGLY974
BHOH2017
BZN2033

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2033
ChainResidue
BASP840
BHIS842
BASP934
BKEE2032

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 2034
ChainResidue
BCYS667
BCYS669
BHIS675
BCYS751

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 2035
ChainResidue
BASP838
BASP840
BHIS842
BSER861
BLEU862

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA B 2036
ChainResidue
BPHE851
BASP854
BVAL857
BPHE888
BHOH2014

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE KEE C 2033
ChainResidue
CHIS802
CHIS803
CPHE812
CASP840
CHIS842
CPHE871
CASP934
CZN2034

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 2034
ChainResidue
CASP840
CHIS842
CASP934
CKEE2033

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 2035
ChainResidue
CCYS667
CCYS669
CHIS675
CCYS751

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA C 2036
ChainResidue
CASP838
CASP840
CHIS842
CSER861
CLEU862

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA C 2037
ChainResidue
CPHE851
CASP854
CVAL857
CPHE888
CHOH2015

site_idBC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE KEE D 2036
ChainResidue
BGLY696
DGLU677
DARG681
DHIS802
DHIS803
DPHE812
DASP840
DHIS842
DPHE871
DASP934
DHOH2016
DZN2037

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 2037
ChainResidue
DASP840
DHIS842
DASP934
DKEE2036

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 2038
ChainResidue
DCYS667
DCYS669
DHIS675
DCYS751

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA D 2039
ChainResidue
DASP838
DASP840
DHIS842
DSER861
DLEU862

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA D 2040
ChainResidue
DPHE851
DASP854
DVAL857
DPHE888
DHOH2014

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
AHIS803
BHIS803
CHIS803
DHIS803

site_idSWS_FT_FI2
Number of Residues16
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ACYS667
CCYS669
CHIS675
CCYS751
DCYS667
DCYS669
DHIS675
DCYS751
ACYS669
AHIS675
ACYS751
BCYS667
BCYS669
BHIS675
BCYS751
CCYS667

218853

PDB entries from 2024-04-24

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