Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T53251 | Target Info | |||
| Target Name | Histone-lysine N-methyltransferase EHMT2 (EHMT2) | ||||
| Synonyms | Protein G9a; NG36; Lysine N-methyltransferase 1C; KMT1C; Histone H3-K9 methyltransferase 3; HLA-B-associated transcript 8; H3-K9-HMTase 3; G9A; Euchromatic histone-lysine N-methyltransferase 2; C6orf30; BAT8 | ||||
| Target Type | Preclinical Target | ||||
| Gene Name | EHMT2 | ||||
| Biochemical Class | Methyltransferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Norleucine | Ligand Info | |||
| Canonical SMILES | CCCCC(C(=O)O)N | ||||
| InChI | 1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | ||||
| InChIKey | LRQKBLKVPFOOQJ-YFKPBYRVSA-N | ||||
| PubChem Compound ID | 21236 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5T0M A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [1] |
| PDB Sequence |
IICRDVARGY
930 ENVPIPCVNG940 VDGEPCPEDY950 KYISENCETS960 TMNIDRNITH970 LQHCTCVDDC 980 SSSNCLCGQL990 SIRCWYDKDG1000 RLLQEFNKIE1010 PPLIFECNQA1020 CSCWRNCKNR 1030 VVQSGIKVRL1040 QLYRTAKMGW1050 GVRALQTIPQ1060 GTFICEYVGE1070 LISDAEADVR 1080 EDDSYLFDLD1090 EVYCIDARYY1104 GNISRFINHL1114 CDPNIIPVRV1124 FMLHQDLRFP 1134 RIAFFSSRDI1144 RTGEELGFDY1154 GDRFWDIKSK1164 YFTCQCGSEK1174 CKHSAEAIAL 1184
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| PDB ID: 5JIY Structure of G9a SET-domain with Histone H3K9norLeucine mutant peptide and bound S-adenosylmethionine | ||||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [2] |
| PDB Sequence |
IRTEKIICRD
925 VARGYENVPI935 PCVNGVDGEP945 CPEDYKYISE955 NCETSTMNID965 RNITHLQHCT 975 CVDDCSSSNC985 LCGQLSIRCW995 YDKDGRLLQE1005 FNKIEPPLIF1015 ECNQACSCWR 1025 NCKNRVVQSG1035 IKVRLQLYRT1045 AKMGWGVRAL1055 QTIPQGTFIC1065 EYVGELISDA 1075 EADVREDDSY1085 LFDLDNKDGE1095 VYCIDARYYG1105 NISRFINHLC1115 DPNIIPVRVF 1125 MLHQDLRFPR1135 IAFFSSRDIR1145 TGEELGFDYG1155 DRFWDIKSKY1165 FTCQCGSEKC 1175 KHSAEAIALE1185 QSR
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading. Elife. 2016 Sep 20;5:e17903. | ||||
| REF 2 | S-adenosyl methionine is necessary for inhibition of the methyltransferase G9a by the lysine 9 to methionine mutation on histone H3. Proc Natl Acad Sci U S A. 2016 May 31;113(22):6182-7. | ||||
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