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6WBW

Structure of Human HDAC2 in complex with an ethyl ketone inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004407molecular_functionhistone deacetylase activity
B0004407molecular_functionhistone deacetylase activity
C0004407molecular_functionhistone deacetylase activity
Functional Information from PDB Data
site_idAC1
Number of Residues19
Detailsbinding site for residue TV1 A 401
ChainResidue
AGLY28
APHE151
AASP177
AHIS179
APHE206
AASP265
ALEU272
AGLY302
ATYR304
AZN402
AHOH716
AHIS29
APRO30
AMET31
AGLU99
AASP100
AHIS141
AHIS142
AGLY150

site_idAC2
Number of Residues4
Detailsbinding site for residue ZN A 402
ChainResidue
AASP177
AHIS179
AASP265
ATV1401

site_idAC3
Number of Residues5
Detailsbinding site for residue CA A 403
ChainResidue
AASP175
AASP177
AHIS179
ASER198
APHE199

site_idAC4
Number of Residues6
Detailsbinding site for residue CA A 404
ChainResidue
APHE188
ATHR191
AVAL194
ATYR223
AHOH547
AHOH680

site_idAC5
Number of Residues3
Detailsbinding site for residue PEG A 405
ChainResidue
AASP19
AASN22
ATYR23

site_idAC6
Number of Residues3
Detailsbinding site for residue PEG A 406
ChainResidue
AGLU336
AGLY339
AHOH693

site_idAC7
Number of Residues2
Detailsbinding site for residue PEG A 407
ChainResidue
ATYR24
AHIS34

site_idAC8
Number of Residues20
Detailsbinding site for residue TV1 B 401
ChainResidue
BGLY28
BHIS29
BPRO30
BMET31
BASP100
BHIS141
BHIS142
BGLY150
BPHE151
BASP177
BHIS179
BPHE206
BASP265
BLEU272
BGLY302
BTYR304
BZN402
BHOH589
BHOH739
BHOH757

site_idAC9
Number of Residues4
Detailsbinding site for residue ZN B 402
ChainResidue
BASP177
BHIS179
BASP265
BTV1401

site_idAD1
Number of Residues5
Detailsbinding site for residue CA B 403
ChainResidue
BASP175
BASP177
BHIS179
BSER198
BPHE199

site_idAD2
Number of Residues6
Detailsbinding site for residue CA B 404
ChainResidue
BPHE188
BTHR191
BVAL194
BTYR223
BHOH655
BHOH749

site_idAD3
Number of Residues4
Detailsbinding site for residue PEG B 405
ChainResidue
BASN350
BTHR352
BHOH727
CPEG405

site_idAD4
Number of Residues5
Detailsbinding site for residue PEG B 406
ChainResidue
AARG127
BASP19
BASN22
BTYR23
BASP105

site_idAD5
Number of Residues18
Detailsbinding site for residue TV1 C 401
ChainResidue
CLEU272
CGLY302
CTYR304
CZN402
CHOH723
CGLY28
CHIS29
CPRO30
CMET31
CASP100
CHIS141
CHIS142
CGLY150
CPHE151
CASP177
CHIS179
CPHE206
CASP265

site_idAD6
Number of Residues4
Detailsbinding site for residue ZN C 402
ChainResidue
CASP177
CHIS179
CASP265
CTV1401

site_idAD7
Number of Residues6
Detailsbinding site for residue CA C 403
ChainResidue
CPHE188
CTHR191
CVAL194
CTYR223
CHOH538
CHOH703

site_idAD8
Number of Residues5
Detailsbinding site for residue CA C 404
ChainResidue
CASP175
CASP177
CHIS179
CSER198
CPHE199

site_idAD9
Number of Residues7
Detailsbinding site for residue PEG C 405
ChainResidue
BASN350
BPEG405
CLEU165
CLYS166
CGLN169
CARG193
CHOH566

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: ACT_SITE => ECO:0000250|UniProtKB:Q13547
ChainResidueDetails
AHIS142
BHIS142
CHIS142

site_idSWS_FT_FI2
Number of Residues27
DetailsBINDING: BINDING => ECO:0000269|PubMed:37137925, ECO:0007744|PDB:8BPA, ECO:0007744|PDB:8BPB, ECO:0007744|PDB:8BPC
ChainResidueDetails
APHE188
ATHR191
AVAL194
ASER198
APHE199
AASP265
BASP175
BASP177
BHIS179
BPHE188
BTHR191
BVAL194
BSER198
BPHE199
BASP265
CASP175
CASP177
CHIS179
CPHE188
CTHR191
CVAL194
CSER198
CPHE199
CASP265
AASP175
AASP177
AHIS179

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING: BINDING => ECO:0000269|PubMed:37137925, ECO:0007744|PDB:8BPB, ECO:0007744|PDB:8BPC
ChainResidueDetails
ATYR223
BTYR223
CTYR223

site_idSWS_FT_FI4
Number of Residues3
DetailsMOD_RES: N6-acetyllysine; alternate => ECO:0000250|UniProtKB:Q13547
ChainResidueDetails
ALYS75
BLYS75
CLYS75

site_idSWS_FT_FI5
Number of Residues3
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q13547
ChainResidueDetails
BLYS221
ALYS221
CLYS221

site_idSWS_FT_FI6
Number of Residues6
DetailsMOD_RES: S-nitrosocysteine => ECO:0000250|UniProtKB:P70288
ChainResidueDetails
ACYS262
ACYS274
BCYS262
BCYS274
CCYS262
CCYS274

site_idSWS_FT_FI7
Number of Residues6
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733
ChainResidueDetails
ALYS75
BLYS75
CLYS75

220472

PDB entries from 2024-05-29

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