Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T73863 | Target Info | |||
| Target Name | Lysine-specific demethylase 4C (KDM4C) | ||||
| Synonyms | KIAA0780; Jumonji domain-containing protein 2C; JmjC domain-containing histone demethylation protein 3C; JMJD2C; JHDM3C; Gene amplified in squamous cell carcinoma 1 protein; GASC1; GASC-1 protein | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | KDM4C | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 2-(carboxymethylamino)-2-oxoacetic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human KDM4C catalytic domain with OGA | PDB:4XDO | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [1] |
| PDB Sequence |
LNPSCKIMTF
19 RPSMEEFREF29 NKYLAYMESK39 GAHRAGLAKV49 IPPKEWKPRQ59 CYDDIDNLLI 69 PAPIQQMVTG79 QSGLFTQYNI89 QKKAMTVKEF99 RQLANSGKYC109 TPRYLDYEDL 119 ERKYWKNLTF129 VAPIYGADIN139 GSIYDEGVDE149 WNIARLNTVL159 DVVEEECGIS 169 IEGVNTPYLY179 FGMWKTTFAW189 HTEDMDLYSI199 NYLHFGEPKS209 WYAIPPEHGK 219 RLERLAQGFF229 PSSSQGCDAF239 LRHKMTLISP249 SVLKKYGIPF259 DKITQEAGEF 269 MITFPYGYHA279 GFNHGFNCAE289 STNFATVRWI299 DYGKVAKLCT309 CRKDMVKISM 319 DIFVRKFQPD329 RYQLWKQGKD339 IYTIDHTK
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-ethyl-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Ligand Info | |||||
| Structure Description | KDM4C bound to pyrazolo-pyrimidine scaffold | PDB:5KR7 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
LNPSCKIMTF
19 RPSMEEFREF29 NKYLAYMESK39 GAHRAGLAKV49 IPPKEWKPRQ59 CYDDIDNLLI 69 PAPIQQMVTG79 QSGLFTQYNI89 QKKAMTVKEF99 RQLANSGKYC109 TPRYLDYEDL 119 ERKYWKNLTF129 VAPIYGADIN139 GSIYDEGVDE149 WNIARLNTVL159 DVVEEECGIS 169 IEGVNTPYLY179 FGMWKTTFAW189 HTEDMDLYSI199 NYLHFGEPKS209 WYAIPPEHGK 219 RLERLAQGFF229 PSSSQGCDAF239 LRHKMTLISP249 SVLKKYGIPF259 DKITQEAGEF 269 MITFPYGYHA279 GFNHGFNCAE289 STNFATVRWI299 DYGKVAKLCT309 CRKDMVKISM 319 DIFVRKFQPD329 RYQLWKQGKD339 IYTIDHTKPT349
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| Ligand Name: 6-Ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human JMJD2C catalytic domain in complex 6-ethyl- 5-methyl-7-oxo-4,7-dihydropyrazolo(1,5-a)pyrimidine-3-carbonitrile | PDB:5FJK | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [3] |
| PDB Sequence |
LNPSCKIMTF
19 RPSMEEFREF29 NKYLAYMESK39 GAHRAGLAKV49 IPPKEWKPRQ59 CYDDIDNLLI 69 PAPIQQMVTG79 QSGLFTQYNI89 QKKAMTVKEF99 RQLANSGKYC109 TPRYLDYEDL 119 ERKYWKNLTF129 VAPIYGADIN139 GSIYDEGVDE149 WNIARLNTVL159 DVVEEECGIS 169 IEGVNTPYLY179 FGMWKTTFAW189 HTEDMDLYSI199 NYLHFGEPKS209 WYAIPPEHGK 219 RLERLAQGFF229 PSSSQGCDAF239 LRHKMTLISP249 SVLKKYGIPF259 DKITQEAGEF 269 MITFPYGYHA279 GFNHGFNCAE289 STNFATVRWI299 DYGKVAKLCT309 CRKDMVKISM 319 DIFVRKFQPD329 RYQLWKQGKD339 IYTIDHTK
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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 .EM6 or .EM62 or .EM63 or :3EM6;style chemicals stick;color identity;select .A:75 or .A:134 or .A:135 or .A:136 or .A:179 or .A:185 or .A:186 or .A:187 or .A:190 or .A:192 or .A:200 or .A:208 or .A:210 or .A:278 or .A:282; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-{[(2-{[(E)-2-(Dimethylamino)ethenyl](Ethyl)amino}-2-Oxoethyl)amino]methyl}pyridine-4-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human JMJD2C catalytic domain in complex with epitherapuetic compound 2-(((2-((2-(dimethylamino)ethyl) (ethyl)amino) -2-oxoethyl)amino)methyl)isonicotinic acid | PDB:5FJH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
LNPSCKIMTF
19 RPSMEEFREF29 NKYLAYMESK39 GAHRAGLAKV49 IPPKEWKPRQ59 CYDDIDNLLI 69 PAPIQQMVTG79 QSGLFTQYNI89 QKKAMTVKEF99 RQLANSGKYC109 TPRYLDYEDL 119 ERKYWKNLTF129 VAPIYGADIN139 GSIYDEGVDE149 WNIARLNTVL159 DVVEEECGIS 169 IEGVNTPYLY179 FGMWKTTFAW189 HTEDMDLYSI199 NYLHFGEPKS209 WYAIPPEHGK 219 RLERLAQGFF229 PSSSQGCDAF239 LRHKMTLISP249 SVLKKYGIPF259 DKITQEAGEF 269 MITFPYGYHA279 GFNHGFNCAE289 STNFATVRWI299 DYGKVAKLCT309 CRKDMVKISM 319 DIFVRKFQPD329 RYQLWKQGKD339 IYTIDHTK
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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 .MMK or .MMK2 or .MMK3 or :3MMK;style chemicals stick;color identity;select .A:134 or .A:137 or .A:177 or .A:179 or .A:187 or .A:190 or .A:192 or .A:193 or .A:198 or .A:200 or .A:208 or .A:210 or .A:243 or .A:278 or .A:290 or .A:291 or .A:292; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening. J Biomol Screen. 2015 Jul;20(6):810-20. | ||||
| REF 2 | Identification of potent, selective KDM5 inhibitors. Bioorg Med Chem Lett. 2016 Sep 1;26(17):4350-4. | ||||
| REF 3 | Crystal Structures of Human Jmjd2C Catalytic Domain Bound to Inhibitors | ||||
| REF 4 | Crystal Structures of Human Jmjd2C Catalytic Domain Bound to Inhibitors | ||||
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