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2GH6

Crystal structure of a HDAC-like protein with 9,9,9-trifluoro-8-oxo-N-phenylnonan amide bound

Functional Information from GO Data
ChainGOidnamespacecontents
A0004407molecular_functionhistone deacetylase activity
A0016787molecular_functionhydrolase activity
A0040029biological_processepigenetic regulation of gene expression
A0046872molecular_functionmetal ion binding
B0004407molecular_functionhistone deacetylase activity
B0016787molecular_functionhydrolase activity
B0040029biological_processepigenetic regulation of gene expression
B0046872molecular_functionmetal ion binding
C0004407molecular_functionhistone deacetylase activity
C0016787molecular_functionhydrolase activity
C0040029biological_processepigenetic regulation of gene expression
C0046872molecular_functionmetal ion binding
D0004407molecular_functionhistone deacetylase activity
D0016787molecular_functionhydrolase activity
D0040029biological_processepigenetic regulation of gene expression
D0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN A 9451
ChainResidue
AASP180
AHIS182
AASP268
ACF39452

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN B 9551
ChainResidue
BASP180
BHIS182
BASP268
BCF39552

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN C 9651
ChainResidue
CHIS182
CASP268
CCF39652
CASP180

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ZN D 9751
ChainResidue
DASP180
DHIS182
DASP268
DCF39752

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K A 9450
ChainResidue
AASP178
AASP180
AHIS182
ASER201
ALEU202

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K B 9550
ChainResidue
BASP178
BASP180
BHIS182
BSER201
BLEU202

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K C 9650
ChainResidue
CASP178
CASP180
CHIS182
CSER201
CLEU202

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K D 9750
ChainResidue
DASP178
DASP180
DHIS182
DSER201
DLEU202

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K A 9449
ChainResidue
ATRP191
AASP194
AVAL197
ATYR226
AHOH9476
AHOH9574

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K B 9549
ChainResidue
BTRP191
BASP194
BVAL197
BTYR226
BHOH9643
BHOH9759

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE K C 9649
ChainResidue
CTRP191
CASP194
CVAL197
CTYR226
CHOH9715
CHOH9724

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE K D 9749
ChainResidue
DTRP191
DASP194
DVAL197
DTYR226
DHOH9849

site_idBC4
Number of Residues18
DetailsBINDING SITE FOR RESIDUE CF3 A 9452
ChainResidue
ALEU21
AILE100
APRO140
AHIS142
AHIS143
AGLY151
APHE152
ACYS153
AASP180
AHIS182
APHE208
AASP268
AGLU309
AGLY310
ATYR312
AZN9451
AHOH9535
BPHE341

site_idBC5
Number of Residues18
DetailsBINDING SITE FOR RESIDUE CF3 B 9552
ChainResidue
APHE341
BLEU21
BILE100
BPRO140
BHIS142
BHIS143
BGLY151
BPHE152
BCYS153
BASP180
BHIS182
BPHE208
BASP268
BGLU309
BGLY310
BTYR312
BZN9551
BHOH9570

site_idBC6
Number of Residues19
DetailsBINDING SITE FOR RESIDUE CF3 C 9652
ChainResidue
CHIS143
CGLY151
CPHE152
CCYS153
CASP180
CHIS182
CPHE208
CASP268
CGLU309
CGLY310
CTYR312
CZN9651
CHOH9677
CHOH9820
DPHE341
CLEU21
CILE100
CPRO140
CHIS142

site_idBC7
Number of Residues19
DetailsBINDING SITE FOR RESIDUE CF3 D 9752
ChainResidue
CPHE341
DLEU21
DILE100
DPRO140
DHIS142
DHIS143
DGLY151
DPHE152
DCYS153
DASP180
DHIS182
DPHE208
DASP268
DGLU309
DGLY310
DTYR312
DZN9751
DHOH9785
DHOH9828

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsActive site: {"description":"Proton donor/acceptor","evidences":[{"source":"UniProtKB","id":"Q48935","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"27756124","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5G1C","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues4
DetailsSite: {"description":"Polarizes the scissile carbonyl of the substrate","evidences":[{"source":"UniProtKB","id":"Q48935","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

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PDB entries from 2025-12-17

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