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6WHN

Histone deacetylases complex with peptide macrocycles

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 401
ChainResidue
AASP181
AHIS183
AASP269
FU2M500

site_idAC2
Number of Residues5
Detailsbinding site for residue NA A 402
ChainResidue
AASP179
AASP181
AHIS183
ASER202
APHE203

site_idAC3
Number of Residues6
Detailsbinding site for residue NA A 403
ChainResidue
APHE192
ATHR195
AVAL198
ATYR227
AHOH637
AHOH643

site_idAC4
Number of Residues10
Detailsbinding site for residue NHE A 404
ChainResidue
ALYS14
AASN100
AASP104
ASER153
AGLY154
APHE210
AHOH509
AHOH538
FTRP506
FGLY507

site_idAC5
Number of Residues3
Detailsbinding site for residue PG4 A 405
ChainResidue
ALYS71
AALA191
ATHR195

site_idAC6
Number of Residues6
Detailsbinding site for residue PG4 A 406
ChainResidue
AGLU340
ATYR341
AGLY343
AHOH504
AHOH511
AHOH720

site_idAC7
Number of Residues6
Detailsbinding site for residue PG4 A 407
ChainResidue
AASP23
AASN26
ATYR27
AGLY110
AHOH581
AHOH594

site_idAC8
Number of Residues6
Detailsbinding site for residue PGE A 408
ChainResidue
AARG131
BASP23
BASN26
BTYR27
BASP109
BHOH776

site_idAC9
Number of Residues1
Detailsbinding site for residue PEG A 409
ChainResidue
AHIS38

site_idAD1
Number of Residues4
Detailsbinding site for residue ZN B 401
ChainResidue
BASP181
BHIS183
BASP269
GU2M500

site_idAD2
Number of Residues5
Detailsbinding site for residue NA B 402
ChainResidue
BASP179
BASP181
BHIS183
BSER202
BPHE203

site_idAD3
Number of Residues6
Detailsbinding site for residue NA B 403
ChainResidue
BPHE192
BTHR195
BVAL198
BTYR227
BHOH649
BHOH651

site_idAD4
Number of Residues9
Detailsbinding site for residue NHE B 404
ChainResidue
ATYR59
ALYS128
AHOH590
BASP21
BASP23
BTYR27
BARG60
BLYS63
BHOH610

site_idAD5
Number of Residues6
Detailsbinding site for residue PGE B 405
ChainResidue
AHOH512
BARG311
BGLU340
BTYR341
BGLY343
BHOH555

site_idAD6
Number of Residues3
Detailsbinding site for residue PG4 B 406
ChainResidue
BLYS284
CGLU67
CTHR70

site_idAD7
Number of Residues6
Detailsbinding site for residue PGE B 407
ChainResidue
BLYS71
BLEU166
BALA191
BHOH734
BHOH788
CGLU91

site_idAD8
Number of Residues4
Detailsbinding site for residue ZN C 401
ChainResidue
CASP181
CHIS183
CASP269
HU2M500

site_idAD9
Number of Residues5
Detailsbinding site for residue NA C 402
ChainResidue
CASP179
CASP181
CHIS183
CSER202
CPHE203

site_idAE1
Number of Residues6
Detailsbinding site for residue NA C 403
ChainResidue
CHOH586
CHOH599
CPHE192
CTHR195
CVAL198
CTYR227

site_idAE2
Number of Residues6
Detailsbinding site for residue PGE C 404
ChainResidue
BASP345
CALA191
CARG197
CHOH543
CHOH597
CHOH630

site_idAE3
Number of Residues6
Detailsbinding site for residue PG4 C 405
ChainResidue
BASN354
CLEU169
CLYS170
CTYR171
CGLN173
CARG197

site_idAE4
Number of Residues6
Detailsbinding site for residue PGE C 406
ChainResidue
CASP23
CASN26
CTYR27
CASP109
CHOH522
CHOH638

site_idAE5
Number of Residues21
Detailsbinding site for Di-peptide U2M F 500 and GLY F 507
ChainResidue
AASP104
AHIS145
AHIS146
AGLY154
APHE155
AASP181
AHIS183
APHE210
AASP269
ALEU276
AGLY306
ATYR308
AZN401
ANHE404
AHOH509
FASN501
FPRO502
FDLY505
FTRP506
FHOH601
FHOH602

site_idAE6
Number of Residues22
Detailsbinding site for Di-peptide U2M F 500 and ASN F 501
ChainResidue
ATYR7
AHIS145
AHIS146
AGLY154
APHE155
AASP181
AHIS183
APHE210
AASP269
ALEU276
AGLY306
ATYR308
AZN401
AHOH509
AHOH682
FPRO502
FLYS503
FGLN504
FGLY507
FHOH601
FHOH602
FHOH603

site_idAE7
Number of Residues11
Detailsbinding site for Di-peptide GLN F 504 and DLY F 505
ChainResidue
AALA5
AGLU103
AASP135
AASN297
FASN501
FPRO502
FLYS503
FTRP506
FGLY507
FHOH601
FHOH606

site_idAE8
Number of Residues13
Detailsbinding site for Di-peptide DLY F 505 and TRP F 506
ChainResidue
ALYS15
AGLN132
AGLN133
ATHR134
AASP135
AASN297
ANHE404
AHOH641
FGLN504
FGLY507
FHOH604
FHOH605
FHOH606

site_idAE9
Number of Residues16
Detailsbinding site for Di-peptide U2M G 500 and GLY G 507
ChainResidue
BHIS145
BHIS146
BGLY154
BPHE155
BASP181
BHIS183
BPHE210
BASP269
BTYR308
BZN401
GASN501
GPRO502
GTRP506
GHOH602
GHOH603
GHOH604

site_idAF1
Number of Residues20
Detailsbinding site for Di-peptide U2M G 500 and ASN G 501
ChainResidue
BHIS145
BHIS146
BGLY154
BPHE155
BASP181
BHIS183
BPHE210
BASP269
BLEU276
BTYR308
BZN401
GPRO502
GLYS503
GGLN504
GDLY505
GTRP506
GGLY507
GHOH601
GHOH602
GHOH604

site_idAF2
Number of Residues7
Detailsbinding site for Di-peptide GLN G 504 and DLY G 505
ChainResidue
BLYS13
BGLY32
BPRO34
GASN501
GPRO502
GLYS503
GTRP506

site_idAF3
Number of Residues10
Detailsbinding site for Di-peptide DLY G 505 and TRP G 506
ChainResidue
BLYS13
BHIS33
BGLU103
BASP104
GU2M500
GASN501
GPRO502
GLYS503
GGLN504
GGLY507

site_idAF4
Number of Residues18
Detailsbinding site for Di-peptide U2M H 500 and ASN H 501
ChainResidue
CASP104
CHIS145
CHIS146
CGLY154
CPHE155
CASP181
CHIS183
CASP269
CLEU276
CGLY306
CTYR308
CZN401
HPRO502
HLYS503
HGLN504
HTRP506
HGLY507
HHOH601

site_idAF5
Number of Residues17
Detailsbinding site for Di-peptide U2M H 500 and GLY H 507
ChainResidue
CASP104
CHIS145
CHIS146
CGLY154
CPHE155
CASP181
CHIS183
CPHE210
CASP269
CGLY306
CTYR308
CZN401
HASN501
HPRO502
HTRP506
HHOH601
HHOH602

site_idAF6
Number of Residues7
Detailsbinding site for Di-peptide GLN H 504 and DLY H 505
ChainResidue
CGLY32
CARG275
CPRO379
HASN501
HPRO502
HLYS503
HTRP506

site_idAF7
Number of Residues10
Detailsbinding site for Di-peptide DLY H 505 and TRP H 506
ChainResidue
CHIS33
CGLU103
CASP104
CPRO379
HU2M500
HASN501
HPRO502
HLYS503
HGLN504
HGLY507

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 2024-08-28

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