Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T05164 | Target Info | |||
| Target Name | Histone-lysine N-methyltransferase KMT5B (KMT5B) | ||||
| Synonyms | Lysine N-methyltransferase 5B; Lysine-specific methyltransferase 5B; Suppressor of variegation 4-20 homolog 1; Su(var)4-20 homolog 1; Suv4-20h1; [histone H4]-N-methyl-L-lysine20 N-methyltransferase KMT5B; [histone H4]-lysine20 N-methyltransferase KMT5B | ||||
| Target Type | Preclinical Target | ||||
| Gene Name | KMT5B | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Ademetionine | Ligand Info | |||
| Canonical SMILES | C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O | ||||
| InChI | 1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1 | ||||
| InChIKey | MEFKEPWMEQBLKI-AIRLBKTGSA-N | ||||
| PubChem Compound ID | 34755 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3S8P Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 In Complex With S-Adenosyl-L-Methionine | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
SAKELCENDD
82 LATSLVLDPY92 LGFQTHKNTR133 QEELKEVIER143 FKKDEHLEKA153 FKCLTSGEWA 163 RHYFLNKNKQ174 EKLFKEHVFI184 YLRFATDSGF195 EILPCNRYSS205 EQNGAKIVAT 215 KEWKRNDKIE225 LLVGCIAELS235 EIEENLLRHG246 ENDFSVYSTR257 KNCAQLWLGP 267 AAFINHDCRP277 NCKFVSTGRD287 TACVKALRDI297 EPGEEISCYY307 GDGFFGENNE 317 FCECYTCERR327 GTGAFKS
|
|||||
|
|
HIS98
2.766
TYR203
3.374
SER205
2.723
GLU206
2.780
ASN208
4.454
GLY209
3.467
ALA210
2.719
PHE250
3.040
SER251
3.747
ALA269
3.186
PHE270
3.677
|
|||||
| PDB ID: 5WBV Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
MSAKELCEND
81 DLATSLVLDP91 YLGFQTHKMN101 KGRQEELKEV140 IERFKKDEHL150 EKAFKCLTSG 160 EWARHYFLNK170 NKMQEKLFKE180 HVFIYLRMFA190 TDSGFEILPC200 NRYSSEQNGA 210 KIVATKEWKR220 NDKIELLVGC230 IAELSEIEEN240 MLLRHGENDF250 SVMYSTRKNC 260 AQLWLGPAAF270 INHDCRPNCK280 FVSTGRDTAC290 VKALRDIEPG300 EEISCYYGDG 310 FFGENNEFCE320 CYTCERRGTG330 AFK
|
|||||
|
|
HIS98
2.758
TYR203
3.396
SER205
3.399
GLU206
3.049
ASN208
4.681
GLY209
3.596
ALA210
2.776
PHE250
3.227
SER251
3.957
ALA269
3.145
PHE270
3.621
|
|||||
| PDB ID: 5CPR The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity | ||||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [3] |
| PDB Sequence |
MSAKELCEND
81 DLATSLVLDP91 YLGFQTHKMN101 RQEELKEVIE142 RFKKDEHLEK152 AFKCLTSGEW 162 ARHYFLNKNK172 MQEKLFKEHV182 FIYLRMFATD192 SGFEILPCNR202 YSSEQNGAKI 212 VATKEWKRND222 KIELLVGCIA232 ELSEIEENML242 LRHGENDFSV252 MYSTRKNCAQ 262 LWLGPAAFIN272 HDCRPNCKFV282 STGRDTACVK292 ALRDIEPGEE302 ISCYYGDGFF 312 GENNEFCECY322 TCERRGTGAF332 KS
|
|||||
|
|
HIS98
2.660
TYR203
3.467
SER205
2.733
GLU206
2.910
ASN208
4.186
GLY209
3.434
ALA210
2.813
PHE250
3.255
SER251
3.930
ALA269
3.293
PHE270
3.692
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2. FEBS Lett. 2013 Nov 29;587(23):3859-68. | ||||
| REF 2 | Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor | ||||
| REF 3 | The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity. Nat Chem Biol. 2017 Mar;13(3):317-324. | ||||
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