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6HU2

Crystal structure of Schistosoma mansoni HDAC8 complexed with a benzohydroxamate inhibitor 11

Functional Information from GO Data
ChainGOidnamespacecontents
A0004407molecular_functionhistone deacetylase activity
A0005634cellular_componentnucleus
A0006325biological_processchromatin organization
A0031507biological_processheterochromatin formation
A0046872molecular_functionmetal ion binding
B0004407molecular_functionhistone deacetylase activity
B0005634cellular_componentnucleus
B0006325biological_processchromatin organization
B0031507biological_processheterochromatin formation
B0046872molecular_functionmetal ion binding
C0004407molecular_functionhistone deacetylase activity
C0005634cellular_componentnucleus
C0006325biological_processchromatin organization
C0031507biological_processheterochromatin formation
C0046872molecular_functionmetal ion binding
D0004407molecular_functionhistone deacetylase activity
D0005634cellular_componentnucleus
D0006325biological_processchromatin organization
D0031507biological_processheterochromatin formation
D0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue ZN A 501
ChainResidue
AASP186
AHIS188
AASP285
AT34504

site_idAC2
Number of Residues5
Detailsbinding site for residue K A 502
ChainResidue
AASP184
AASP186
AHIS188
ASER207
AVAL208

site_idAC3
Number of Residues5
Detailsbinding site for residue K A 503
ChainResidue
APHE197
ASER200
AVAL203
ASER243
AHOH701

site_idAC4
Number of Residues12
Detailsbinding site for residue T34 A 504
ChainResidue
ALYS20
AHIS141
AHIS142
AASP186
AHIS188
APHE216
AASP285
AHIS292
ATYR341
AZN501
AHOH780
BASP50

site_idAC5
Number of Residues7
Detailsbinding site for residue DMF A 505
ChainResidue
ATHR85
AHOH658
CTYR35
CLYS36
CLYS365
CMET366
CTHR367

site_idAC6
Number of Residues3
Detailsbinding site for residue DMF A 506
ChainResidue
AGLU131
ALYS330
AVAL331

site_idAC7
Number of Residues2
Detailsbinding site for residue DMF A 507
ChainResidue
AARG12
AGLN13

site_idAC8
Number of Residues5
Detailsbinding site for residue DMF A 508
ChainResidue
ATYR301
AARG352
AGLU359
AMET366
AILE368

site_idAC9
Number of Residues6
Detailsbinding site for residue GOL A 509
ChainResidue
AHIS189
AGLU194
AGLY220
ATHR221
APHE233
ALEU234

site_idAD1
Number of Residues4
Detailsbinding site for residue ZN B 501
ChainResidue
BASP186
BHIS188
BASP285
BT34504

site_idAD2
Number of Residues5
Detailsbinding site for residue K B 502
ChainResidue
BASP184
BASP186
BHIS188
BSER207
BVAL208

site_idAD3
Number of Residues5
Detailsbinding site for residue K B 503
ChainResidue
BPHE197
BSER200
BVAL203
BSER243
BHOH738

site_idAD4
Number of Residues12
Detailsbinding site for residue T34 B 504
ChainResidue
AASP50
BLYS20
BHIS141
BHIS142
BASP186
BHIS188
BPHE216
BASP285
BHIS292
BTYR341
BZN501
BHOH773

site_idAD5
Number of Residues3
Detailsbinding site for residue DMF B 505
ChainResidue
BASP257
BASP402
BHOH630

site_idAD6
Number of Residues5
Detailsbinding site for residue DMF B 506
ChainResidue
BARG12
BGLN13
BTYR377
BDMF510
BHOH607

site_idAD7
Number of Residues4
Detailsbinding site for residue DMF B 507
ChainResidue
BTYR7
BMET29
BASP30
BILE38

site_idAD8
Number of Residues4
Detailsbinding site for residue DMF B 508
ChainResidue
BGLU131
BVAL132
BLYS330
BVAL331

site_idAD9
Number of Residues4
Detailsbinding site for residue DMF B 509
ChainResidue
BARG352
BGLU359
BMET366
BILE368

site_idAE1
Number of Residues3
Detailsbinding site for residue DMF B 510
ChainResidue
BSER376
BTYR377
BDMF506

site_idAE2
Number of Residues6
Detailsbinding site for residue GOL B 511
ChainResidue
BGLU194
BGLY220
BTHR221
BPHE233
BLEU234
BHIS189

site_idAE3
Number of Residues8
Detailsbinding site for residue GOL B 512
ChainResidue
BGLN10
BTYR11
BLEU14
BPRO46
BGLN48
BGLN116
BHOH601
BHOH603

site_idAE4
Number of Residues4
Detailsbinding site for residue ZN C 501
ChainResidue
CASP186
CHIS188
CASP285
CT34504

site_idAE5
Number of Residues5
Detailsbinding site for residue K C 502
ChainResidue
CASP184
CASP186
CHIS188
CSER207
CVAL208

site_idAE6
Number of Residues5
Detailsbinding site for residue K C 503
ChainResidue
CPHE197
CSER200
CVAL203
CSER243
CHOH727

site_idAE7
Number of Residues13
Detailsbinding site for residue T34 C 504
ChainResidue
CLYS20
CHIS141
CHIS142
CGLY150
CASP186
CHIS188
CPHE216
CASP285
CHIS292
CTYR341
CZN501
CHOH756
DASP50

site_idAE8
Number of Residues4
Detailsbinding site for residue DMF C 505
ChainResidue
CTYR7
CMET29
CASP30
CASN33

site_idAE9
Number of Residues6
Detailsbinding site for residue DMF C 506
ChainResidue
CTYR7
CARG43
CHOH689
DSER94
DSER96
DGLU147

site_idAF1
Number of Residues3
Detailsbinding site for residue DMF C 507
ChainResidue
CALA61
CHIS162
CALA196

site_idAF2
Number of Residues3
Detailsbinding site for residue DMF C 508
ChainResidue
CTYR301
CARG352
CGLU359

site_idAF3
Number of Residues4
Detailsbinding site for residue DMF C 509
ChainResidue
CARG12
CGLN13
CCYS16
CTYR377

site_idAF4
Number of Residues2
Detailsbinding site for residue DMF C 510
ChainResidue
CASP402
CILE404

site_idAF5
Number of Residues4
Detailsbinding site for residue DMF C 511
ChainResidue
CGLU131
CVAL132
CLYS330
CVAL331

site_idAF6
Number of Residues6
Detailsbinding site for residue GOL C 512
ChainResidue
CHIS189
CGLU194
CGLY220
CTHR221
CPHE233
CLEU234

site_idAF7
Number of Residues4
Detailsbinding site for residue ZN D 501
ChainResidue
DASP186
DHIS188
DASP285
DT34504

site_idAF8
Number of Residues5
Detailsbinding site for residue K D 502
ChainResidue
DASP184
DASP186
DHIS188
DSER207
DVAL208

site_idAF9
Number of Residues5
Detailsbinding site for residue K D 503
ChainResidue
DPHE197
DSER200
DVAL203
DSER243
DHOH715

site_idAG1
Number of Residues12
Detailsbinding site for residue T34 D 504
ChainResidue
CASP50
DLYS20
DHIS141
DHIS142
DGLY150
DASP186
DHIS188
DPHE216
DASP285
DHIS292
DTYR341
DZN501

site_idAG2
Number of Residues5
Detailsbinding site for residue DMF D 505
ChainResidue
DARG352
DGLU359
DMET366
DILE368
DHOH605

site_idAG3
Number of Residues5
Detailsbinding site for residue DMF D 506
ChainResidue
DTYR7
DARG12
DMET29
DASP30
DILE38

site_idAG4
Number of Residues8
Detailsbinding site for residue GOL D 507
ChainResidue
DHIS189
DGLU194
DGLY220
DTHR221
DASN223
DPHE233
DLEU234
DASN246

227561

PDB entries from 2024-11-20

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