Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28887 | Target Info | |||
| Target Name | Histone deacetylase 8 (HDAC8) | ||||
| Synonyms | Histone deacetylase-8; HDACL1; HD8; CDA07 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HDAC8 | ||||
| Biochemical Class | Carbon-nitrogen hydrolase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 4-(Dimethylamino)-n-[7-(hydroxyamino)-7-oxoheptyl]benzamide | Ligand Info | |||
| Canonical SMILES | CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO | ||||
| InChI | 1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20) | ||||
| InChIKey | MXWDSZWTBOCWBK-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3994 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1T67 Crystal Structure of Human HDAC8 complexed with MS-344 | ||||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | No | [1] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QDSIEYGLGY100 DCPATEGIFD110 YAAAIGGATI120 TAAQCLIDGM 130 CKVAINWSGG140 WHHAKKDEAS150 GFCYLNDAVL160 GILRLRRKFE170 RILYVDLDLH 180 HGDGVEDAFS190 FTSKVMTVSL200 HKFSPGFFPG210 TGDVSDVGLG220 KGRYYSVNVP 230 IQDGIQDEKY240 YQICESVLKE250 VYQAFNPKAV260 VLQLGADTIA270 GDPMCSFNMT 280 PVGIGKCLKY290 ILQWQLATLI300 LGGGGYNLAN310 TARCWTYLTG320 VILGKTLSSE 330 IPDHEFFTAY340 GPDYVLEITP350 SCRPDRNEPH360 RIQQILNYIK370 GNLKHVV |
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| PDB ID: 3EW8 Crystal Structure Analysis of human HDAC8 D101L variant | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [2] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QEGEYGLGYL101 CPATEGIFDY111 AAAIGGATIT121 AAQCLIDGMC 131 KVAINWSGGW141 HHAKKDEASG151 FCYLNDAVLG161 ILRLRRKFER171 ILYVDLDLHH 181 GDGVEDAFSF191 TSKVMTVSLH201 KFSPGFFPGT211 GDVSDVGLGK221 GRYYSVNVPI 231 QDGIQDEKYY241 QICESVLKEV251 YQAFNPKAVV261 LQLGADTIAG271 DPMCSFNMTP 281 VGIGKCLKYI291 LQWQLATLIL301 GGGGYNLANT311 ARCWTYLTGV321 ILGKTLSSEI 331 PDHEFFTAYG341 PDYVLEITPS351 CRPDRNEPHR361 IQQILNYIKG371 NLKHVVI |
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| PDB ID: 3F06 Crystal Structure Analysis of Human HDAC8 D101A Variant. | ||||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | Yes | [2] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 DSIEYGLGYA101 CPATEGIFDY111 AAAIGGATIT121 AAQCLIDGMC 131 KVAINWSGGW141 HHAKKDEASG151 FCYLNDAVLG161 ILRLRRKFER171 ILYVDLDLHH 181 GDGVEDAFSF191 TSKVMTVSLH201 KFSPGFFPGT211 GDVSDVGLGK221 GRYYSVNVPI 231 QDGIQDEKYY241 QICESVLKEV251 YQAFNPKAVV261 LQLGADTIAG271 DPMCSFNMTP 281 VGIGKCLKYI291 LQWQLATLIL301 GGGGYNLANT311 ARCWTYLTGV321 ILGKTLSSEI 331 PDHEFFTAYG341 PDYVLEITPS351 CRPDRNEPHR361 IQQILNYIKG371 NLKHVV |
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| PDB ID: 3EZP Crystal Structure Analysis of human HDAC8 D101N variant | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | Yes | [2] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QDSIEYGLGY100 NCPATEGIFD110 YAAAIGGATI120 TAAQCLIDGM 130 CKVAINWSGG140 WHHAKKDEAS150 GFCYLNDAVL160 GILRLRRKFE170 RILYVDLDLH 180 HGDGVEDAFS190 FTSKVMTVSL200 HKFSPGFFPG210 TGDVSDVGLG220 KGRYYSVNVP 230 IQDGIQDEKY240 YQICESVLKE250 VYQAFNPKAV260 VLQLGADTIA270 GDPMCSFNMT 280 PVGIGKCLKY290 ILQWQLATLI300 LGGGGYNLAN310 TARCWTYLTG320 VILGKTLSSE 330 IPDHEFFTAY340 GPDYVLEITP350 SCRPDRNEPH360 RIQQILNYIK370 GNLKHVV |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:263 or .A:267 or .A:274 or .A:303 or .A:304 or .A:306; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3EZT Crystal Structure Analysis of Human HDAC8 D101E Variant | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | Yes | [2] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QDSIEYGLGY100 ECPATEGIFD110 YAAAIGGATI120 TAAQCLIDGM 130 CKVAINWSGG140 WHHAKKDEAS150 GFCYLNDAVL160 GILRLRRKFE170 RILYVDLDLH 180 HGDGVEDAFS190 FTSKVMTVSL200 HKFSPGFFPG210 TGDVSDVGLG220 KGRYYSVNVP 230 IQDGIQDEKY240 YQICESVLKE250 VYQAFNPKAV260 VLQLGADTIA270 GDPMCSFNMT 280 PVGIGKCLKY290 ILQWQLATLI300 LGGGGYNLAN310 TARCWTYLTG320 VILGKTLSSE 330 IPDHEFFTAY340 GPDYVLEITP350 SCRPDRNEPH360 RIQQILNYIK370 GNLKHVV |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:267 or .A:304 or .A:306; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3MZ4 Crystal structure of D101L Mn2+ HDAC8 complexed with M344 | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [3] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QEYGLGYLCP103 ATEGIFDYAA113 AIGGATITAA123 QCLIDGMCKV 133 AINWSGGWHH143 AKKDEASGFC153 YLNDAVLGIL163 RLRRKFERIL173 YVDLDLHHGD 183 GVEDAFSFTS193 KVMTVSLHKF203 SPGFFPGTGD213 VSDVGLGKGR223 YYSVNVPIQD 233 GIQDEKYYQI243 CESVLKEVYQ253 AFNPKAVVLQ263 LGADTIAGDP273 MCSFNMTPVG 283 IGKCLKYILQ293 WQLATLILGG303 GGYNLANTAR313 CWTYLTGVIL323 GKTLSSEIPD 333 HEFFTAYGPD343 YVLEITPSCR353 PDRNEPHRIQ363 QILNYIKGNL373 KHVVI |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:267 or .A:274 or .A:304 or .A:306; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5THV Crystal Structure of G305A HDAC8 in complex with M344 | ||||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | Yes | [4] |
| PDB Sequence |
VPVYIYSPEY
24 VSMCDSLAKI34 PKRASMVHSL44 IEAYALHKQM54 RIVKPKVASM64 EEMATFHTDA 74 YLQHLQKVSQ84 DSIEYGLTEG107 IFDYAAAIGG117 ATITAAQCLI127 DGMCKVAINW 137 SGGWHHAKKD147 EASGFCYLND157 AVLGILRLRR167 KFERILYVDL177 DLHHGDGVED 187 AFSFTSKVMT197 VSLHKFSPGF207 FPGTGDVSDV217 GLGKGRYYSV227 NVPIQDGIQD 237 EKYYQICESV247 LKEVYQAFNP257 KAVVLQLGAD267 TIAGDPMCSF277 NMTPVGIGKC 287 LKYILQWQLA297 TLILGGGAYN307 LANTARCWTY317 LTGVILGKTL327 SSEIPDHEFF 337 TAYGPDYVLE347 ITPSCRPDRN357 EPHRIQQILN367 YIKGNLKHV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:267 or .A:274 or .A:304 or .A:305 or .A:306; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3MZ7 Crystal structure of D101L Co2+ HDAC8 complexed with M344 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [3] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QEEYGLGYLC102 PATEGIFDYA112 AAIGGATITA122 AQCLIDGMCK 132 VAINWSGGWH142 HAKKDEASGF152 CYLNDAVLGI162 LRLRRKFERI172 LYVDLDLHHG 182 DGVEDAFSFT192 SKVMTVSLHK202 FSPGFFPGTG212 DVSDVGLGKG222 RYYSVNVPIQ 232 DGIQDEKYYQ242 ICESVLKEVY252 QAFNPKAVVL262 QLGADTIAGD272 PMCSFNMTPV 282 GIGKCLKYIL292 QWQLATLILG302 GGGYNLANTA312 RCWTYLTGVI322 LGKTLSSEIP 332 DHEFFTAYGP342 DYVLEITPSC352 RPDRNEPHRI362 QQILNYIKGN372 LKHVVI |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:267 or .A:274 or .A:304 or .A:306; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5THS Crystal Structure of G302A HDAC8 in complex with M344 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [4] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QEGDDDHPDS93 IEYGLGYDCP103 ATEGIFDYAA113 AIGGATITAA 123 QCLIDGMCKV133 AINWSGGWHH143 AKKDEASGFC153 YLNDAVLGIL163 RLRRKFERIL 173 YVDLDLHHGD183 GVEDAFSFTS193 KVMTVSLHKF203 SPGFFPGTGD213 VSDVGLGKGR 223 YYSVNVPIQD233 GIQDEKYYQI243 CESVLKEVYQ253 AFNPKAVVLQ263 LGADTIAGDP 273 MCSFNMTPVG283 IGKCLKYILQ293 WQLATLILAG303 GGYNLANTAR313 CWTYLTGVIL 323 GKTLSSEIPD333 HEFFTAYGPD343 YVLEITPSCR353 PDRNEPHRIQ363 QILNYIKGNL 373 KHVV
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:263 or .A:267 or .A:274 or .A:304 or .A:306; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4QA1 Crystal structure of A188T HDAC8 in complex with M344 | ||||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | Yes | [5] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QEEYGLGYDC102 PATEGIFDYA112 AAIGGATITA122 AQCLIDGMCK 132 VAINWSGGWH142 HAKKDEASGF152 CYLNDAVLGI162 LRLRRKFERI172 LYVDLDLHHG 182 DGVEDTFSFT192 SKVMTVSLHK202 FSPGFFPGTG212 DVSDVGLGKG222 RYYSVNVPIQ 232 DGIQDEKYYQ242 ICESVLKEVY252 QAFNPKAVVL262 QLGADTIAGD272 PMCSFNMTPV 282 GIGKCLKYIL292 QWQLATLILG302 GGGYNLANTA312 RCWTYLTGVI322 LGKTLSSEIP 332 DHEFFTAYGP342 DYVLEITPSC352 RPDRNEPHRI362 QQILNYIKGN372 LKHV |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:263 or .A:267 or .A:274 or .A:304 or .A:306; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5DC5 Crystal structure of D176N HDAC8 in complex with M344 | ||||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | Yes | [6] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QDDDHPDSIE95 YGLGYDCPAT105 EGIFDYAAAI115 GGATITAAQC 125 LIDGMCKVAI135 NWSGGWHHAK145 KDEASGFCYL155 NDAVLGILRL165 RRKFERILYV 175 NLDLHHGDGV185 EDAFSFTSKV195 MTVSLHKFSP205 GFFPGTGDVS215 DVGLGKGRYY 225 SVNVPIQDGI235 QDEKYYQICE245 SVLKEVYQAF255 NPKAVVLQLG265 ADTIAGDPMC 275 SFNMTPVGIG285 KCLKYILQWQ295 LATLILGGGG305 YNLANTARCW315 TYLTGVILGK 325 TLSSEIPDHE335 FFTAYGPDYV345 LEITPSCRPD355 RNEPHRIQQI365 LNYIKGNLKH 375 VVIE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:141 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:267 or .A:274 or .A:303 or .A:304 or .A:306; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5THU Crystal Structure of G304A HDAC8 in complex with M344 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [4] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSKIP35 KRASMVHSLI45 EAYALHKQMR55 IVKPKVASME65 EMATFHTDAY 75 LQHLQKVSDH90 PDSIEYGLGY100 DCPATEGIFD110 YAAAIGGATI120 TAAQCLIDGM 130 CKVAINWSGG140 WHHAKKDEAS150 GFCYLNDAVL160 GILRLRRKFE170 RILYVDLDLH 180 HGDGVEDAFS190 FTSKVMTVSL200 HKFSPGFFPG210 TGDVSDVGLG220 KGRYYSVNVP 230 IQDGIQDEKY240 YQICESVLKE250 VYQAFNPKAV260 VLQLGADTIA270 GDPMCSFNMT 280 PVGIGKCLKY290 ILQWQLATLI300 LGGAGYNLAN310 TARCWTYLTG320 VILGKTLSSE 330 IPDHEFFTAY340 GPDYVLEITP350 SCRPDRNEPH360 RIQQILNYIK370 GNLKHVVI |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:267 or .A:274 or .A:304 or .A:306; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4QA4 Crystal structure of H334R HDAC8 in complex with M344 | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [5] |
| PDB Sequence |
SLVPVYIYSP
22 EYVSMCDSLA32 KIPKRASMVH42 SLIEAYALHK52 QMRIVKPKVA62 SMEEMATFHT 72 DAYLQHLQKV82 SQEGDDDHPD92 SIEYGLGYDC102 PATEGIFDYA112 AAIGGATITA 122 AQCLIDGMCK132 VAINWSGGWH142 HAKKDEASGF152 CYLNDAVLGI162 LRLRRKFERI 172 LYVDLDLHHG182 DGVEDAFSFT192 SKVMTVSLHK202 FSPGFFPGTG212 DVSDVGLGKG 222 RYYSVNVPIQ232 DGIQDEKYYQ242 ICESVLKEVY252 QAFNPKAVVL262 QLGADTIAGD 272 PMCSFNMTPV282 GIGKCLKYIL292 QWQLATLILG302 GGGYNLANTA312 RCWTYLTGVI 322 LGKTLSSEIP332 DREFFTAYGP342 DYVLEITPSC352 RPDRNEPHRI362 QQILNYIKGN 372 LKHVVI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:263 or .A:267 or .A:274 or .A:304 or .A:306; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3MZ6 Crystal structure of D101L Fe2+ HDAC8 complexed with M344 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QEGEYGLGYL101 CPATEGIFDY111 AAAIGGATIT121 AAQCLIDGMC 131 KVAINWSGGW141 HHAKKDEASG151 FCYLNDAVLG161 ILRLRRKFER171 ILYVDLDLHH 181 GDGVEDAFSF191 TSKVMTVSLH201 KFSPGFFPGT211 GDVSDVGLGK221 GRYYSVNVPI 231 QDGIQDEKYY241 QICESVLKEV251 YQAFNPKAVV261 LQLGADTIAG271 DPMCSFNMTP 281 VGIGKCLKYI291 LQWQLATLIL301 GGGGYNLANT311 ARCWTYLTGV321 ILGKTLSSEI 331 PDHEFFTAYG341 PDYVLEITPS351 CRPDRNEPHR361 IQQILNYIKG371 NLKHVVI |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:267 or .A:274 or .A:304 or .A:306; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 7JVW Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [7] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QHPDSIEYGL98 PATEGIFDYA112 AAIGGATITA122 AQCLIDGMCK 132 VAINWSGGWH142 HAKKDEASGF152 CYLNDAVLGI162 LRLRRKFERI172 LYVDLDLHHG 182 DGVEDAFSFT192 SKVMTVSLHK202 FSPGFFPGTG212 DVSDVGLGKG222 RYYSVNVPIQ 232 DGIQDEKYYQ242 ICESVLKEVY252 QAFNPKAVVL262 QLGADTIAGD272 PMCSFNMTPV 282 GIGKCLKYIL292 QWQLATLILG302 GGGYNLANTA312 RCWTYLTRVI322 LGKTLSSEIP 332 DHEFFTAYGP342 DYVLEITPSC352 RPDRNEPHRI362 QQILNYIKGN372 LKHV |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:263 or .A:267 or .A:274 or .A:304 or .A:306; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5THT Crystal Structure of G303A HDAC8 in complex with M344 | ||||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | Yes | [4] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QHPDSIEYGL98 GYDCPATEGI108 FDYAAAIGGA118 TITAAQCLID 128 GMCKVAINWS138 GGWHHAKKDE148 ASGFCYLNDA158 VLGILRLRRK168 FERILYVDLD 178 LHHGDGVEDA188 FSFTSKVMTV198 SLHKFSPGFF208 PGTGDVSDVG218 LGKGRYYSVN 228 VPIQDGIQDE238 KYYQICESVL248 KEVYQAFNPK258 AVVLQLGADT268 IAGDPMCSFN 278 MTPVGIGKCL288 KYILQWQLAT298 LILGAGGYNL308 ANTARCWTYL318 TGVILGKTLS 328 SEIPDHEFFT338 AYGPDYVLEI348 TPSCRPDRNE358 PHRIQQILNY368 IKGNLKHVVI 378 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3N or .B3N2 or .B3N3 or :3B3N;style chemicals stick;color identity;select .A:100 or .A:101 or .A:142 or .A:143 or .A:151 or .A:152 or .A:178 or .A:180 or .A:208 or .A:267 or .A:274 or .A:304 or .A:306; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3MZ3 Crystal structure of Co2+ HDAC8 complexed with M344 | ||||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [3] |
| PDB Sequence |
LVPVYIYSPE
23 YVSMCDSLAK33 IPKRASMVHS43 LIEAYALHKQ53 MRIVKPKVAS63 MEEMATFHTD 73 AYLQHLQKVS83 QDSIEYGLGY100 DCPATEGIFD110 YAAAIGGATI120 TAAQCLIDGM 130 CKVAINWSGG140 WHHAKKDEAS150 GFCYLNDAVL160 GILRLRRKFE170 RILYVDLDLH 180 HGDGVEDAFS190 FTSKVMTVSL200 HKFSPGFFPG210 TGDVSDVGLG220 KGRYYSVNVP 230 IQDGIQDEKY240 YQICESVLKE250 VYQAFNPKAV260 VLQLGADTIA270 GDPMCSFNMT 280 PVGIGKCLKY290 ILQWQLATLI300 LGGGGYNLAN310 TARCWTYLTG320 VILGKTLSSE 330 IPDHEFFTAY340 GPDYVLEITP350 SCRPDRNEPH360 RIQQILNYIK370 GNLKHVV |
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural snapshots of human HDAC8 provide insights into the class I histone deacetylases. Structure. 2004 Jul;12(7):1325-34. | ||||
| REF 2 | Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors. Biochemistry. 2008 Dec 23;47(51):13554-63. | ||||
| REF 3 | Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function. Biochemistry. 2010 Jun 22;49(24):5048-56. | ||||
| REF 4 | Structural and Functional Influence of the Glycine-Rich Loop G(302)GGGY on the Catalytic Tyrosine of Histone Deacetylase 8. Biochemistry. 2016 Dec 6;55(48):6718-6729. | ||||
| REF 5 | Compromised structure and function of HDAC8 mutants identified in Cornelia de Lange Syndrome spectrum disorders. ACS Chem Biol. 2014 Sep 19;9(9):2157-64. | ||||
| REF 6 | General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry. 2016 Feb 9;55(5):820-32. | ||||
| REF 7 | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders. J Struct Biol. 2021 Mar;213(1):107681. | ||||
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