Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T90961 | Target Info | |||
| Target Name | BMP-2-inducible protein kinase (BMP2K) | ||||
| Synonyms | HRIHFB2017; BIKe | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BMP2K | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Baricitinib | Ligand Info | |||||
| Structure Description | Crystal Structure of BMP-2-inducible kinase in complex with baricitinib | PDB:4W9X | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | Yes | [1] |
| PDB Sequence |
VGVRVFAVGR
48 HQVTLEESLA58 EGGFSTVFLV68 RTHGGIRCAL78 KRMYVNNMPD88 LNVCKREITI 98 MKELSGHKNI108 VGYLDCAVNS118 ISWEVLILME131 YCRAGQVVNQ141 MNKKQTGFTE 152 PEVLQIFCDT162 CEAVARLHQC172 KTPIIHRDLK182 VENILLNDGG192 NYVLCDFGSA 202 TNKFLNPQKD212 GVNVVEEEIK222 KYTTLSYRAP232 EMINLYGGKP242 ITTKADIWAL 252 GCLLYKLCFF262 TLPFGESQVA272 ICDGNFTIPD282 NSRYSRNIHC292 LIRFMLEPDP 302 EHRPDIFQVS312 YFAFKFAAAD322 CPVSNINNSS332 IPSALPEPMT342 |
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|
|
LEU57
3.941
ALA58
3.400
GLU59
3.531
GLY60
3.367
SER63
3.292
THR64
3.936
VAL65
4.068
ALA77
3.457
LYS79
4.069
VAL109
3.686
MET130
3.659
|
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| Ligand Name: AZD7762 | Ligand Info | |||||
| Structure Description | Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762 | PDB:4W9W | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [1] |
| PDB Sequence |
VGVRVFAVGR
48 HQVTLEESLA58 EGGFSTVFLV68 RTHGGIRCAL78 KRMYVNNMPD88 LNVCKREITI 98 MKELSGHKNI108 VGYLDCAVNS118 ISDNVWEVLI128 LMEYCRAGQV138 VNQMNKKLQT 148 GFTEPEVLQI158 FCDTCEAVAR168 LHQCKTPIIH178 RDLKVENILL188 NDGGNYVLCD 198 FGSATNKFLN208 PQKDGVNVVE218 EEIKKYTTLS228 YRAPEMINLY238 GGKPITTKAD 248 IWALGCLLYK258 LCFFTLPFGE268 SQVAICDGNF278 TIPDNSRYSR288 NIHCLIRFML 298 EPDPEHRPDI308 FQVSYFAFKF318 AAADCPVSNI328 NNSSIPSALP338 EPMTAS |
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|
|
LEU57
3.926
ALA58
3.753
VAL65
3.994
ALA77
3.409
VAL109
4.037
MET130
4.375
GLU131
2.890
TYR132
3.502
CYS133
2.712
ARG134
3.229
ALA135
4.690
GLY136
3.515
GLN137
3.706
ASN140
4.277
GLU184
3.499
|
|||||
| Ligand Name: N-[6-[3-(cyclopropylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | PDB:5IKW | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | Yes | [2] |
| PDB Sequence |
RVFAVGRHQV
51 TLEESLAEGG61 FSTVFLVRTH71 GGIRCALKRM81 YVNNMPDLNV91 CKREITIMKE 101 LSGHKNIVGY111 LDCAVNSISD121 NVWEVLILME131 YCRAGQVVNQ141 MNKKLQTGFT 151 EPEVLQIFCD161 TCEAVARLHQ171 CKTPIIHRDL181 KVENILLNDG191 GNYVLCDFGS 201 ATNKFLNPQK211 DGVNVVEEEI221 KKYTTLSYRA231 PEMINLYGGK241 PITTKADIWA 251 LGCLLYKLCF261 FTLPFGESQV271 AICDGNFTIP281 DNSRYSRNIH291 CLIRFMLEPD 301 PEHRPDIFQV311 SYFAFKFAAA321 DCPVSNINNS331 SIPSALP
|
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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 .6BU or .6BU2 or .6BU3 or :36BU;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:63 or .A:64 or .A:65 or .A:77 or .A:79 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:140 or .A:182 or .A:184 or .A:185 or .A:187 or .A:197 or .A:198; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU57
3.441
ALA58
3.483
GLU59
3.990
GLY60
3.767
SER63
3.366
THR64
4.948
VAL65
3.572
ALA77
3.557
LYS79
4.038
MET130
3.666
GLU131
3.046
TYR132
3.513
|
|||||
| Ligand Name: N-[6-[3-(cyclopropylmethylsulfonylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | PDB:5I3R | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [3] |
| PDB Sequence |
RVFAVGRHQV
51 TLEESLAEGG61 FSTVFLVRTH71 GGIRCALKRM81 YVNNMPDLNV91 CKREITIMKE 101 LSGHKNIVGY111 LDCAVNSISD121 NVWEVLILME131 YCRAGQVVNQ141 MNKKLQTGFT 151 EPEVLQIFCD161 TCEAVARLHQ171 CKTPIIHRDL181 KVENILLNDG191 GNYVLCDFGS 201 ATNKFLNPQK211 DGVNVVEEEI221 KKYTTLSYRA231 PEMINLYGGK241 PITTKADIWA 251 LGCLLYKLCF261 FTLPFGESQV271 AICDGNFTIP281 DNSRYSRNIH291 CLIRFMLEPD 301 PEHRPDIFQV311 SYFAFKFAAA321 DCPVSNINNS331 SIPSALPEPM341 TA |
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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 .IDK or .IDK2 or .IDK3 or :3IDK;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:63 or .A:64 or .A:65 or .A:77 or .A:79 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:140 or .A:182 or .A:184 or .A:185 or .A:187 or .A:197 or .A:198; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU57
3.711
ALA58
3.710
GLU59
4.085
GLY60
3.069
GLY61
4.692
SER63
3.060
THR64
4.307
VAL65
3.017
ALA77
3.266
LYS79
4.269
MET130
3.665
GLU131
3.227
TYR132
3.464
|
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| Ligand Name: N-[6-[3-(dimethylsulfamoylamino)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | PDB:5I3O | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [4] |
| PDB Sequence |
RVFAVGRHQV
51 TLEESLAEGG61 FSTVFLVRTH71 GGIRCALKRM81 YVNNMPDLNV91 CKREITIMKE 101 LSGHKNIVGY111 LDCAVNSISD121 NVWEVLILME131 YCRAGQVVNQ141 MNKKLQTGFT 151 EPEVLQIFCD161 TCEAVARLHQ171 CKTPIIHRDL181 KVENILLNDG191 GNYVLCDFGS 201 ATNKFLNPQK211 DGVNVVEEEI221 KKYTTLSYRA231 PEMINLYGGK241 PITTKADIWA 251 LGCLLYKLCF261 FTLPFGESQV271 AICDGNFTIP281 DNSRYSRNIH291 CLIRFMLEPD 301 PEHRPDIFQV311 SYFAFKFAAA321 DCPVSNINNS331 SIPSALPEPM341 TA |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IDV or .IDV2 or .IDV3 or :3IDV;style chemicals stick;color identity;select .A:57 or .A:58 or .A:59 or .A:60 or .A:63 or .A:64 or .A:65 or .A:77 or .A:79 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:140 or .A:182 or .A:184 or .A:185 or .A:187 or .A:197 or .A:198; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU57
3.626
ALA58
3.305
GLU59
4.358
GLY60
3.244
SER63
4.322
THR64
4.918
VAL65
3.553
ALA77
3.605
LYS79
4.278
MET130
3.492
GLU131
3.685
TYR132
2.869
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Structure. 2016 Mar 1;24(3):401-11. | ||||
| REF 2 | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A | ||||
| REF 3 | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | ||||
| REF 4 | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | ||||
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