Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T18904 | Target Info | |||
| Target Name | Lysine-specific demethylase 4A (KDM4A) | ||||
| Synonyms | KIAA0677; Jumonji domain-containing protein 2A; JmjC domain-containing histone demethylation protein 3A; JMJD2A; JMJD2; JHDM3A | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | KDM4A | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N6-Acetyl-L-lysine | Ligand Info | |||
| Canonical SMILES | CC(=O)NCCCCC(C(=O)O)N | ||||
| InChI | 1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 | ||||
| InChIKey | DTERQYGMUDWYAZ-ZETCQYMHSA-N | ||||
| PubChem Compound ID | 92832 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2OX0 Crystal structure of JMJD2A complexed with histone H3 peptide dimethylated at Lys9 | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
TLNPSARIMT
16 FYPTMEEFRN26 FSRYIAYIES36 QGAHRAGLAK46 VVPPKEWKPR56 ASYDDIDDLV 66 IPAPIQQLVT76 GQSGLFTQYN86 IQKKAMTVRE96 FRKIANSDKY106 CTPRYSEFEE 116 LERKYWKNLT126 FNPPIYGADV136 NGTLYEKHVD146 EWNIGRLRTI156 LDLVEKESGI 166 TIEGVNTPYL176 YFGMWKTSFA186 WHTEDMDLYS196 INYLHFGEPK206 SWYSVPPEHG 216 KRLERLAKGF226 FPGSAQSCEA236 FLRHKMTLIS246 PLMLKKYGIP256 FDKVTQEAGE 266 FMITFPYGYH276 AGFNHGFNCA286 ESTNFATRRW296 IEYGKQAVLC306 SCRKDMVKIS 316 MDVFVRKFQP326 ERYKLWKAGK336 DNTVIDHTLP346 TPEAAEFLK
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| PDB ID: 2OQ6 Crystal structure of JMJD2A complexed with histone H3 peptide trimethylated at Lys9 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
LNPSARIMTF
17 YPTMEEFRNF27 SRYIAYIESQ37 GAHRAGLAKV47 VPPKEWKPRA57 SYDDIDDLVI 67 PAPIQQLVTG77 QSGLFTQYNI87 QKKAMTVREF97 RKIANSDKYC107 TPRYSEFEEL 117 ERKYWKNLTF127 NPPIYGADVN137 GTLYEKHVDE147 WNIGRLRTIL157 DLVEKESGIT 167 IEGVNTPYLY177 FGMWKTSFAW187 HTEDMDLYSI197 NYLHFGEPKS207 WYSVPPEHGK 217 RLERLAKGFF227 PGSAQSCEAF237 LRHKMTLISP247 LMLKKYGIPF257 DKVTQEAGEF 267 MITFPYGYHA277 GFNHGFNCAE287 STNFATRRWI297 EYGKQAVLCS307 CRKDMVKISM 317 DVFVRKFQPE327 RYKLWKAGKD337 NTVIDHTLPT347 PEAAEFLK
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| PDB ID: 2OT7 Crystal structure of JMJD2A complexed with histone H3 peptide monomethylated at Lys9 | ||||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [1] |
| PDB Sequence |
TLNPSARIMT
16 FYPTMEEFRN26 FSRYIAYIES36 QGAHRAGLAK46 VVPPKEWKPR56 ASYDDIDDLV 66 IPAPIQQLVT76 GQSGLFTQYN86 IQKKAMTVRE96 FRKIANSDKY106 CTPRYSEFEE 116 LERKYWKNLT126 FNPPIYGADV136 NGTLYEKHVD146 EWNIGRLRTI156 LDLVEKESGI 166 TIEGVNTPYL176 YFGMWKTSFA186 WHTEDMDLYS196 INYLHFGEPK206 SWYSVPPEHG 216 KRLERLAKGF226 FPGSAQSCEA236 FLRHKMTLIS246 PLMLKKYGIP256 FDKVTQEAGE 266 FMITFPYGYH276 AGFNHGFNCA286 ESTNFATRRW296 IEYGKQAVLC306 SCRKDMVKIS 316 MDVFVRKFQP326 ERYKLWKAGK336 DNTVIDHTLP346 TPEAAEFLK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of histone demethylase JMJD2A reveal basis for substrate specificity. Nature. 2007 Jul 5;448(7149):87-91. | ||||
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