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2VQQ

Structure of HDAC4 catalytic domain (a double cysteine-to-alanine mutant) bound to a trifluoromethylketone inhbitor

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
Functional Information from PDB Data
site_idAC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE SO4 A1406
ChainResidue
ALYS20
AARG37
AILE38
AARG154
AHOH2012
AHOH2266
AHOH2267
AHOH2268
BHOH2099

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A1407
ChainResidue
ATRP42
AGLN46
AARG51
AHOH2269

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K A1408
ChainResidue
AASP194
AASP196
AHIS198
ASER217
ALEU218

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A1409
ChainResidue
APHE207
AASP210
AVAL213
APHE244
AHOH2154
AHOH2156

site_idAC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE TFG A1410
ChainResidue
APRO156
AHIS158
AHIS159
AGLY167
APHE168
AASP196
AHIS198
APHE227
AASP290
AGLY330
AZN1411
AHOH2194
AHOH2270
BLEU78
BTYR79
BTHR81
BALA124
BHOH2155

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B1406
ChainResidue
BLYS20
BARG37
BILE38
BARG154
BHOH2334
BHOH2335
BHOH2336
BHOH2337

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K B1407
ChainResidue
BASP194
BASP196
BHIS198
BSER217
BLEU218

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K B1408
ChainResidue
BPHE207
BASP210
BVAL213
BPHE244
BHOH2209
BHOH2212

site_idAC9
Number of Residues18
DetailsBINDING SITE FOR RESIDUE TFG B1409
ChainResidue
ALEU78
ATYR79
ATHR81
AALA124
BPRO156
BHIS158
BHIS159
BGLY167
BPHE168
BASP196
BHIS198
BPHE227
BASP290
BGLY330
BZN1410
BHOH2253
BHOH2338
BHOH2339

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B1410
ChainResidue
BASP196
BHIS198
BASP290
BTFG1409

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A1411
ChainResidue
AASP196
AHIS198
AASP290
ATFG1410

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: ACT_SITE => ECO:0000250
ChainResidueDetails
AHIS159
BHIS159

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
ACYS23
AALA25
AHIS31
ACYS107
BCYS23
BALA25
BHIS31
BCYS107

218853

PDB entries from 2024-04-24

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