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6FYZ

Development and characterization of a CNS-penetrant benzhydryl hydroxamic acid class IIa histone deacetylase inhibitor

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 Residues15
Detailsbinding site for residue EBE A 2001
ChainResidue
AGLU677
APHE871
AASP934
APRO942
AGLY974
AZN2002
AHOH2153
AGLU764
APRO800
AHIS802
AHIS803
AGLY811
APHE812
AASP840
AHIS842

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 2002
ChainResidue
AASP840
AHIS842
AASP934
AEBE2001

site_idAC3
Number of Residues3
Detailsbinding site for residue ZN A 2003
ChainResidue
ACYS667
ACYS669
AHIS675

site_idAC4
Number of Residues6
Detailsbinding site for residue NA A 2004
ChainResidue
APHE851
AASP854
AVAL857
APHE888
AHOH2149
AHOH2154

site_idAC5
Number of Residues16
Detailsbinding site for residue EBE B 2001
ChainResidue
BPRO676
BGLU677
BGLU764
BPRO800
BHIS802
BHIS803
BGLY811
BPHE812
BASP840
BHIS842
BPHE871
BASP934
BPRO942
BGLY974
BZN2002
BHOH2177

site_idAC6
Number of Residues4
Detailsbinding site for residue ZN B 2002
ChainResidue
BASP840
BHIS842
BASP934
BEBE2001

site_idAC7
Number of Residues4
Detailsbinding site for residue ZN B 2003
ChainResidue
BCYS667
BCYS669
BHIS675
BCYS751

site_idAC8
Number of Residues6
Detailsbinding site for residue NA B 2004
ChainResidue
BPHE851
BASP854
BVAL857
BPHE888
BHOH2137
BHOH2144

site_idAC9
Number of Residues15
Detailsbinding site for residue EBE C 2001
ChainResidue
CASN726
CPRO800
CHIS802
CHIS803
CGLY811
CPHE812
CASP840
CHIS842
CPHE871
CASP934
CPRO942
CLEU943
CGLY974
CZN2002
CHOH2131

site_idAD1
Number of Residues4
Detailsbinding site for residue ZN C 2002
ChainResidue
CASP840
CHIS842
CASP934
CEBE2001

site_idAD2
Number of Residues3
Detailsbinding site for residue ZN C 2003
ChainResidue
CCYS667
CCYS669
CHIS675

site_idAD3
Number of Residues6
Detailsbinding site for residue NA C 2004
ChainResidue
CPHE851
CASP854
CVAL857
CPHE888
CHOH2135
CHOH2158

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
ACYS669
AHIS675
ACYS751
BCYS667
BCYS669
BHIS675
BCYS751
CCYS667
CCYS669
CHIS675
CCYS751

219869

PDB entries from 2024-05-15

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