UniProt Q9BY41
Histone deacetylase 8 (Q9BY41)
Histone deacetylase 8 (UniProt Q9BY41), EC 3.5.1.98: 97 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 50 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q9BY41
- Protein
- Histone deacetylase 8
- EC
- 3.5.1.98
- Experimental structures
- 97
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 50 · 10 records with a druggable one
Structures
98 records of Q9BY41 in the MolNFT archive: 97 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1T64 | Crystal Structure of human HDAC8 complexed with Trichostatin A | x-ray diffraction | A, B | — | — |
| 1T64 | Crystal structure of human HDAC8 complexed with trichostatin a | x-ray diffraction | A, B | — | — |
| 1T67 | Crystal Structure of Human HDAC8 complexed with MS-344 | x-ray diffraction | A | — | — |
| 1T67 | Crystal structure of human HDAC8 complexed with ms-344 | x-ray diffraction | A | — | — |
| 1T69 | Crystal Structure of human HDAC8 complexed with SAHA | x-ray diffraction | A | — | — |
| 1T69 | Crystal structure of human HDAC8 complexed with saha | x-ray diffraction | A | — | — |
| 1VKG | Crystal Structure of Human HDAC8 complexed with CRA-19156 | x-ray diffraction | A, B | — | — |
| 1VKG | Crystal structure of human HDAC8 complexed with cra-19156 | x-ray diffraction | A, B | — | — |
| 1W22 | Crystal structure of inhibited human HDAC8 | x-ray diffraction | A, B | — | — |
| 1W22 | Crystal structure of inhibited human HDAC8 | x-ray diffraction | A, B | — | — |
| 2V5W | Crystal structure of HDAC8-substrate complex | x-ray diffraction | A, B | — | — |
| 2V5W | Crystal structure of HDAC8-substrate complex | x-ray diffraction | A, B | — | — |
| 2V5X | Crystal structure of HDAC8-inhibitor complex | x-ray diffraction | A, B | — | — |
| 2V5X | Crystal structure of HDAC8-inhibitor complex | x-ray diffraction | A, B | — | — |
| 3EW8 | Crystal Structure Analysis of human HDAC8 D101L variant | x-ray diffraction | A | — | — |
| 3EW8 | Crystal structure analysis of human HDAC8 D101L variant | x-ray diffraction | A | — | — |
| 3EWF | Crystal Structure Analysis of human HDAC8 H143A variant complexed with substrate. | x-ray diffraction | A, B, C, D | — | — |
| 3EWF | Crystal structure analysis of human HDAC8 H143A variant complexed with substrate. | x-ray diffraction | A, B, C, D | — | — |
| 3EZP | Crystal Structure Analysis of human HDAC8 D101N variant | x-ray diffraction | A, B | — | — |
| 3EZP | Crystal structure analysis of human HDAC8 D101N variant | x-ray diffraction | A, B | — | — |
| 3EZT | Crystal Structure Analysis of Human HDAC8 D101E Variant | x-ray diffraction | A, B | — | — |
| 3EZT | Crystal structure analysis of human HDAC8 D101E variant | x-ray diffraction | A, B | — | — |
| 3F06 | Crystal Structure Analysis of Human HDAC8 D101A Variant. | x-ray diffraction | A, B | — | — |
| 3F06 | Crystal structure analysis of human HDAC8 D101A variant. | x-ray diffraction | A, B | — | — |
| 3F07 | Crystal Structure Analysis of Human HDAC8 complexed with APHA in a new monoclinic crystal form | x-ray diffraction | A, B, C | — | — |
| 3F07 | Crystal structure analysis of human HDAC8 complexed with apha in a new monoclinic crystal form | x-ray diffraction | A, B, C | — | — |
| 3F0R | Crystal Structure Analysis of Human HDAC8 complexed with trichostatin A in a new monoclinic crystal… | x-ray diffraction | A, B, C | — | — |
| 3F0R | Crystal structure analysis of human HDAC8 complexed with trichostatin a in a new monoclinic crystal… | x-ray diffraction | A, B, C | — | — |
| 3MZ3 | Crystal structure of Co2+ HDAC8 complexed with M344 | x-ray diffraction | A, B | — | — |
| 3MZ3 | Crystal structure of CO2+ HDAC8 complexed with M344 | x-ray diffraction | A, B | — | — |
| 3MZ4 | Crystal structure of D101L Mn2+ HDAC8 complexed with M344 | x-ray diffraction | A, B | — | — |
| 3MZ4 | Crystal structure of D101L MN2+ HDAC8 complexed with M344 | x-ray diffraction | A, B | — | — |
| 3MZ6 | Crystal structure of D101L Fe2+ HDAC8 complexed with M344 | x-ray diffraction | A | — | — |
| 3MZ6 | Crystal structure of D101L FE2+ HDAC8 complexed with M344 | x-ray diffraction | A | — | — |
| 3MZ7 | Crystal structure of D101L Co2+ HDAC8 complexed with M344 | x-ray diffraction | A | — | — |
| 3MZ7 | Crystal structure of D101L CO2+ HDAC8 complexed with M344 | x-ray diffraction | A | — | — |
| 3RQD | Ideal Thiolate-Zinc Coordination Geometry in Depsipeptide Binding to Histone Deacetylase 8 | x-ray diffraction | A, B | — | — |
| 3RQD | Ideal thiolate-zinc coordination geometry in depsipeptide binding to histone deacetylase 8 | x-ray diffraction | A, B | — | — |
| 3SFF | Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor | x-ray diffraction | A | — | — |
| 3SFF | Crystal structure of human HDAC8 inhibitor complex, an amino acid derived inhibitor | x-ray diffraction | A | — | — |
| 3SFH | Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor | x-ray diffraction | A | — | — |
| 3SFH | Crystal structure of human HDAC8 inhibitor complex, an amino acid derived inhibitor | x-ray diffraction | A | — | — |
| 4QA0 | Crystal structure of C153F HDAC8 in complex with SAHA | x-ray diffraction | A, B | — | — |
| 4QA0 | Crystal structure of C153F HDAC8 in complex with saha | x-ray diffraction | A, B | — | — |
| 4QA1 | Crystal structure of A188T HDAC8 in complex with M344 | x-ray diffraction | A, B, C, D | — | — |
| 4QA1 | Crystal structure of A188T HDAC8 in complex with M344 | x-ray diffraction | A, B, C, D | — | — |
| 4QA2 | Crystal structure of I243N HDAC8 in complex with SAHA | x-ray diffraction | A, B | — | — |
| 4QA2 | Crystal structure of I243N HDAC8 in complex with saha | x-ray diffraction | A, B | — | — |
| 4QA3 | Crystal structure of T311M HDAC8 in complex with Trichostatin A (TSA) | x-ray diffraction | A, B | — | — |
| 4QA3 | Crystal structure of T311M HDAC8 in complex with trichostatin a (tsa) | x-ray diffraction | A, B | — | — |
| 4QA4 | Crystal structure of H334R HDAC8 in complex with M344 | x-ray diffraction | A | — | — |
| 4QA4 | Crystal structure of H334R HDAC8 in complex with M344 | x-ray diffraction | A | — | — |
| 4QA5 | Crystal structure of A188T/Y306F HDAC8 in complex with a tetrapeptide substrate | x-ray diffraction | A, B | — | — |
| 4QA5 | Crystal structure of A188T/Y306F HDAC8 in complex with a tetrapeptide substrate | x-ray diffraction | A, B | — | — |
| 4QA6 | Crystal structure of I243N/Y306F HDAC8 in complex with a tetrapeptide substrate | x-ray diffraction | A, B | — | — |
| 4QA6 | Crystal structure of I243N/Y306F HDAC8 in complex with a tetrapeptide substrate | x-ray diffraction | A, B | — | — |
| 4QA7 | Crystal structure of H334R/Y306F HDAC8 in complex with a tetrapeptide substrate | x-ray diffraction | A | — | — |
| 4QA7 | Crystal structure of H334R/Y306F HDAC8 in complex with a tetrapeptide substrate | x-ray diffraction | A | — | — |
| 4RN0 | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | x-ray diffraction | A, B | — | — |
| 4RN0 | Crystal structure of S39D HDAC8 in complex with a largazole analogue. | x-ray diffraction | A, B | — | — |
38 records more on the page itself.
Ligands
- K · Potassium ion · in 24 records
- ZN · Zinc ion · in 24 records
- B3N · 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide · in 10 records
- C7 · N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide · in 2 records
- GGG · glycylglycylglycine · in 2 records
- GOK · 2-[4-[[(1-methylindol-3-yl) methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide · in 2 records
- M7Y · (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide · in 2 records
- 5OM · (2S)-2-amino-8,8-dihydroxy-8-[(2S)-oxiran-2-yl]octanoic acid · in 1 record
- 5YA · 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide · in 1 record
- M8G · N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide · in 1 record
- MCM · 7-amino-4-methyl-chromen-2-one · in 1 record
- SHH · Octanedioic acid hydroxyamide phenylamide · in 1 record
Experiment against prediction
- 5THT chain D against the predicted model Q9BY41: TM-score 1.00, RMSD 0.35 Å
- 7JVU chain B against the predicted model Q9BY41: TM-score 1.00, RMSD 0.37 Å
- 5THT chain C against the predicted model Q9BY41: TM-score 1.00, RMSD 0.37 Å
- 4QA1 chain C against the predicted model Q9BY41: TM-score 1.00, RMSD 0.38 Å
- 4QA1 chain C against the predicted model Q9BY41: TM-score 1.00, RMSD 0.38 Å
- 3RQD chain A against the predicted model Q9BY41: TM-score 1.00, RMSD 0.39 Å
- 3RQD chain A against the predicted model Q9BY41: TM-score 1.00, RMSD 0.39 Å
- 4RN2 chain A against the predicted model Q9BY41: TM-score 1.00, RMSD 0.39 Å
- 4QA6 chain A against the predicted model Q9BY41: TM-score 1.00, RMSD 0.40 Å
- 4QA6 chain A against the predicted model Q9BY41: TM-score 1.00, RMSD 0.40 Å
Elsewhere
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