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6G3O

Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide

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 Residues4
Detailsbinding site for residue ZN A 1001
ChainResidue
AASP181
AHIS183
AASP269
AEL81004

site_idAC2
Number of Residues5
Detailsbinding site for residue CA A 1002
ChainResidue
AASP179
AASP181
AHIS183
ASER202
APHE203

site_idAC3
Number of Residues6
Detailsbinding site for residue NA A 1003
ChainResidue
APHE192
ATHR195
AVAL198
ATYR227
AHOH1111
AHOH1128

site_idAC4
Number of Residues15
Detailsbinding site for residue EL8 A 1004
ChainResidue
AGLN31
AGLY32
AHIS33
APRO34
AASP104
AHIS145
AHIS146
AGLY154
AASP181
AHIS183
APHE210
AASP269
ALEU276
ATYR308
AZN1001

site_idAC5
Number of Residues4
Detailsbinding site for residue ZN B 1001
ChainResidue
BASP181
BHIS183
BASP269
BEL81004

site_idAC6
Number of Residues5
Detailsbinding site for residue CA B 1002
ChainResidue
BASP179
BASP181
BHIS183
BSER202
BPHE203

site_idAC7
Number of Residues5
Detailsbinding site for residue NA B 1003
ChainResidue
BPHE192
BTHR195
BVAL198
BTYR227
BHOH1123

site_idAC8
Number of Residues16
Detailsbinding site for residue EL8 B 1004
ChainResidue
BGLN31
BGLY32
BHIS33
BPRO34
BASP104
BHIS145
BHIS146
BGLY154
BPHE155
BASP181
BHIS183
BASP269
BLEU276
BTYR308
BZN1001
BHOH1200

site_idAC9
Number of Residues4
Detailsbinding site for residue 1PE B 1005
ChainResidue
BLYS284
BHIS349
CGLU67
CTHR70

site_idAD1
Number of Residues7
Detailsbinding site for residue SO4 B 1006
ChainResidue
BASP135
BMET136
BLYS294
BASN297
BLEU298
BHOH1128
BHOH1131

site_idAD2
Number of Residues5
Detailsbinding site for residue PG4 B 1007
ChainResidue
AGLN133
BASP23
BASN26
BTYR27
BASP109

site_idAD3
Number of Residues4
Detailsbinding site for residue ZN C 1001
ChainResidue
CASP181
CHIS183
CASP269
CEL81004

site_idAD4
Number of Residues5
Detailsbinding site for residue CA C 1002
ChainResidue
CASP179
CASP181
CHIS183
CSER202
CPHE203

site_idAD5
Number of Residues5
Detailsbinding site for residue NA C 1003
ChainResidue
CPHE192
CTHR195
CVAL198
CHOH1115
CHOH1131

site_idAD6
Number of Residues17
Detailsbinding site for residue EL8 C 1004
ChainResidue
CASP181
CHIS183
CPHE210
CASP269
CLEU276
CTYR308
CMET377
CZN1001
CGLN31
CGLY32
CHIS33
CPRO34
CASP104
CHIS145
CHIS146
CGLY154
CPHE155

site_idAD7
Number of Residues3
Detailsbinding site for residue SO4 C 1005
ChainResidue
CGLU189
CTYR193
CHOH1160

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: ACT_SITE => ECO:0000250|UniProtKB:Q13547
ChainResidueDetails
AHIS146
BHIS146
CHIS146

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
AASP179
BASP179
BASP181
BHIS183
BPHE192
BTHR195
BVAL198
BSER202
BPHE203
BASP269
CASP179
AASP181
CASP181
CHIS183
CPHE192
CTHR195
CVAL198
CSER202
CPHE203
CASP269
AHIS183
APHE192
ATHR195
AVAL198
ASER202
APHE203
AASP269

site_idSWS_FT_FI3
Number of Residues3
DetailsBINDING: BINDING => ECO:0000269|PubMed:37137925, ECO:0007744|PDB:8BPB, ECO:0007744|PDB:8BPC
ChainResidueDetails
ATYR227
BTYR227
CTYR227

site_idSWS_FT_FI4
Number of Residues3
DetailsMOD_RES: N6-acetyllysine; alternate => ECO:0000250|UniProtKB:Q13547
ChainResidueDetails
ALYS79
BLYS79
CLYS79

site_idSWS_FT_FI5
Number of Residues3
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q13547
ChainResidueDetails
ALYS225
BLYS225
CLYS225

site_idSWS_FT_FI6
Number of Residues6
DetailsMOD_RES: S-nitrosocysteine => ECO:0000250|UniProtKB:P70288
ChainResidueDetails
ACYS266
ACYS278
BCYS266
BCYS278
CCYS266
CCYS278

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
ALYS79
BLYS79
CLYS79

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PDB entries from 2024-07-17

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