Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T18784 | Target Info | |||
| Target Name | Lysine-specific demethylase 7A (KDM7A) | ||||
| Synonyms | Lysine-specific demethylase 7; KIAA1718; KDM7; JmjC domain-containing histone demethylation protein 1D; JHDM1D | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | KDM7A | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Alpha-ketoglutaric acid | Ligand Info | |||
| Canonical SMILES | C(CC(=O)O)C(=O)C(=O)O | ||||
| InChI | 1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) | ||||
| InChIKey | KPGXRSRHYNQIFN-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 51 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3KV6 Structure of KIAA1718, human Jumonji demethylase, in complex with alpha-ketoglutarate | ||||||
| Method | X-ray diffraction | Resolution | 2.89 Å | Mutation | No | [1] |
| PDB Sequence |
PPPPPVYCVC
42 RQPYDVNRFM52 IECDICKDWF62 HGSCVGVEEH72 HAVDIDLYHC82 PNCAVLHGSS 92 LMKKRRNWHR102 HDYTEIDDGS112 KPVQAGTRTF122 IKELRSRVFP132 SADEIIIKMH 142 GSQLTQRYLE152 KHGFDVPIMV162 PKLDDLGLRL172 PSPTFSVMDV182 ERYVGGDKVI 192 DVIDVARQAD202 SKMTLHNYVK212 YFMNPNRPKV222 LNVISLEFSD232 TKMSELVEVP 242 DIAKKLSWVE252 NYWPDDSVFP262 KPFVQKYCLM272 GVQDSYTDFH282 IDFGGTSVWY 292 HVLWGEKIFY302 LIKPTDENLA312 RYESWSSSVT322 QSEVFFGDKV332 DKCYKCVVKQ 342 GHTLFVPTGW352 IHAVLTSQDC362 MAFGGNFLHN372 LNIGMQLRCY382 EMEKRLKTPD 392 LFKFPFFEAI402 CWFVAKNLLE412 TLKELREDGF422 QPQTYLVQGV432 KALHTALKLW 442 MKKELVSEHA452 FEIPDNVRPG462 HLIKELSKVI472 RAIEEEN
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| PDB ID: 3U78 E67-2 selectively inhibits KIAA1718, a human histone H3 lysine 9 Jumonji demethylase | ||||||
| Method | X-ray diffraction | Resolution | 2.69 Å | Mutation | No | [2] |
| PDB Sequence |
PVQAGTRTFI
123 KELRSRVFPS133 ADEIIIKMHG143 SQLTQRYLEK153 HGFDVPIMVP163 KLDDLGLRLP 173 SPTFSVMDVE183 RYVGGDKVID193 VIDVARQADS203 KMTLHNYVKY213 FMNPNRPKVL 223 NVISLEFSDT233 KMSELVEVPD243 IAKKLSWVEN253 YWPDDSVFPK263 PFVQKYCLMG 273 VQDSYTDFHI283 DFGGTSVWYH293 VLWGEKIFYL303 IKPTDENLAR313 YESWSSSVTQ 323 SEVFFGDKVD333 KCYKCVVKQG343 HTLFVPTGWI353 HAVLTSQDCM363 AFGGNFLHNL 373 NIGMQLRCYE383 MEKRLKTPDL393 FKFPFFEAIC403 WFVAKNLLET413 LKELREDGFQ 423 PQTYLVQGVK433 ALHTALKLWM443 KKELVSEHAF453 EIPDNVRPGH463 LIKELSKVIR 473 AIEEEN
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| PDB ID: 3KVA Structure of KIAA1718 Jumonji domain in complex with alpha-ketoglutarate | ||||||
| Method | X-ray diffraction | Resolution | 2.79 Å | Mutation | No | [1] |
| PDB Sequence |
PVQAGTRTFI
123 KELRSRVFPS133 ADEIIIKMHG143 SQLTQRYLEK153 HGFDVPIMVP163 KLDDLGLRLP 173 SPTFSVMDVE183 RYVGGDKVID193 VIDVARQADS203 KMTLHNYVKY213 FMNPNRPKVL 223 NVISLEFSDT233 KMSELVEVPD243 IAKKLSWVEN253 YWPDDSVFPK263 PFVQKYCLMG 273 VQDSYTDFHI283 DFGGTSVWYH293 VLWGEKIFYL303 IKPTDENLAR313 YESWSSSVTQ 323 SEVFFGDKVD333 KCYKCVVKQG343 HTLFVPTGWI353 HAVLTSQDCM363 AFGGNFLHNL 373 NIGMQLRCYE383 MEKRLKTPDL393 FKFPFFEAIC403 WFVAKNLLET413 LKELREDGFQ 423 PQTYLVQGVK433 ALHTALKLWM443 KKELVSEHAF453 EIPDNVRPGH463 LIKELSKVIR 473 AIEEEN
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat Struct Mol Biol. 2010 Jan;17(1):38-43. | ||||
| REF 2 | An analog of BIX-01294 selectively inhibits a family of histone H3 lysine 9 Jumonji demethylases. J Mol Biol. 2012 Feb 24;416(3):319-27. | ||||
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