Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Ademetionine | Ligand Info | |||||
| Structure Description | Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 In Complex With S-Adenosyl-L-Methionine | PDB:3S8P | ||||
| 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
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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
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: A-196 | Ligand Info | |||||
| Structure Description | The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity | PDB:5CPR | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | No | [2] |
| 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
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| Ligand Name: Selenomethionine | Ligand Info | |||||
| Structure Description | Crystal Structure of the SET Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 In Complex With S-Adenosyl-L-Methionine | PDB:3S8P | ||||
| 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
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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 .MSE or .MSE2 or .MSE3 or :3MSE;style chemicals stick;color identity;select .A:73 or .A:74 or .A:76 or .A:77 or .A:78 or .A:80 or .A:82 or .A:89 or .A:98 or .A:99 or .A:101 or .A:102 or .A:171 or .A:172 or .A:174 or .A:175 or .A:176 or .A:177 or .A:181 or .A:184 or .A:185 or .A:186 or .A:187 or .A:189 or .A:190 or .A:193 or .A:195 or .A:196 or .A:197 or .A:212 or .A:226 or .A:230 or .A:237 or .A:238 or .A:239 or .A:240 or .A:242 or .A:243 or .A:244 or .A:248 or .A:250 or .A:251 or .A:252 or .A:254 or .A:255 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:267 or .A:281 or .A:306 or .A:307 or .A:311; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER73
1.327
ALA74
4.077
GLU76
3.603
LEU77
3.581
CYS78
3.693
ASN80
3.657
ASP82
2.790
LEU89
4.515
HIS98
4.542
LYS99
1.332
ASN101
1.343
THR102
3.391
ASN171
3.279
LYS172
1.331
GLN174
1.327
GLU175
3.326
LYS176
3.323
LEU177
2.934
HIS181
3.995
ILE184
3.748
TYR185
2.768
LEU186
3.121
ARG187
1.333
PHE189
1.333
ALA190
3.344
SER193
2.724
PHE195
3.447
GLU196
4.393
ILE197
4.003
ILE212
3.873
LEU226
4.784
CYS230
4.611
ILE237
2.894
GLU238
3.314
GLU239
3.306
ASN240
1.329
LEU242
1.335
LEU243
3.785
ARG244
2.963
ASN248
2.924
PHE250
3.756
SER251
4.046
VAL252
1.329
TYR254
1.334
SER255
4.002
CYS260
4.024
ALA261
3.502
GLN262
2.748
LEU263
3.853
TRP264
3.624
LEU265
3.738
PRO267
3.824
PHE281
4.499
TYR306
4.965
TYR307
3.407
PHE311
3.951
|
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| Ligand Name: 2-chloro-5-(4-methyl-6-oxo-3-phenylpyrano[2,3-c]pyrazol-1(6H)-yl)benzoic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor | PDB:5WBV | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| 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
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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 .9ZY or .9ZY2 or .9ZY3 or :39ZY;style chemicals stick;color identity;select .A:228 or .A:229 or .A:250 or .A:251 or .A:252 or .A:253 or .A:262 or .A:264 or .A:268 or .A:269 or .A:281 or .A:282 or .A:283 or .A:289 or .A:290 or .A:307 or .A:311; 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 | Crystal structures of the human histone H4K20 methyltransferases SUV420H1 and SUV420H2. FEBS Lett. 2013 Nov 29;587(23):3859-68. | ||||
| REF 2 | The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity. Nat Chem Biol. 2017 Mar;13(3):317-324. | ||||
| REF 3 | Crystal Structure of the SET Domain of Human SUV420H1 In Complex With Inhibitor | ||||
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