Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T99160 | Target Info | |||
| Target Name | MAP kinase signal-integrating kinase 2 (MKNK2) | ||||
| Synonyms | Mnk2; MAPK signal-integrating kinase 2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MKNK2 | ||||
| Biochemical Class | Protein kinase superfamily. CAMK Ser/Thr protein kinase family | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: EFT508 | Ligand Info | |||||
| Structure Description | Crystal Structure of Mnk2-D228G in complex with Inhibitor | PDB:6CK6 | ||||
| Method | X-ray diffraction | Resolution | 3.32 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSTDSFSGRF
79 EDVYQLQEDV89 LGEGAHARVQ99 TCINLITSQE109 YAVKIIEKQP119 GHIRSRVFRE 129 VEMLYQCQGH139 RNVLELIEFF149 EEEDRFYLVF159 EKMRGGSILS169 HIHKRRHFNE 179 LEASVVVQDV189 ASALDFLHNK199 GIAHRDLKPE209 NILCEHPNQV219 SPVKICDFGG 252 SAEYMAPEVV262 EAFSEEASIY272 DKRCDLWSLG282 VILYILLSGY292 PPFVGRCCGA 310 CPACQNMLFE320 SIQEGKYEFP330 DKDWAHISCA340 AKDLISKLLV350 RDAKQRLSAA 360 QVLQHPWVQG370 C
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LEU90
3.196
GLY91
3.862
GLU92
4.066
GLY93
3.842
ALA96
4.285
VAL98
3.936
ALA111
3.377
LYS113
3.324
GLU129
4.906
LEU143
3.540
PHE159
3.284
|
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| Ligand Name: Staurosporine | Ligand Info | |||||
| Structure Description | Crystal Structure of Mnk2-D228G in complex with Staurosporine | PDB:2HW7 | ||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | Yes | [2] |
| PDB Sequence |
GSTDSFSGRF
79 EDVYQLQEDV89 LGEGAHARVQ99 TCINLITSQE109 YAVKIIEKQP119 GHIRSRVFRE 129 VEMLYQCQGH139 RNVLELIEFF149 EEEDRFYLVF159 EKMRGGSILS169 HIHKRRHFNE 179 LEASVVVQDV189 ASALDFLHNK199 GIAHRDLKPE209 NILCEHPNQV219 SPVKICDFGG 252 SAEYMAPEVV262 EAFSEEASIY272 DKRCDLWSLG282 VILYILLSGY292 PPFVGRCCGA 310 CPACQNMLFE320 SIQEGKYEFP330 DKDWAHISCA340 AKDLISKLLV350 RDAKQRLSAA 360 QVLQHPWVQG370 C
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| Ligand Name: 3-Pyridin-3-ylimidazo[1,2-a]pyridine-8-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | PDB:6CJ5 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSTDSFSGRF
79 EDVYQLQEDV89 LGEGAHARVQ99 TCINLITSQE109 YAVKIIEKQP119 GHIRSRVFRE 129 VEMLYQCQGH139 RNVLELIEFF149 EEEDRFYLVF159 EKMRGGSILS169 HIHKRRHFNE 179 LEASVVVQDV189 ASALDFLHNK199 GIAHRDLKPE209 NILCEHPNQV219 SPVKICDFGG 252 SAEYMAPEVV262 EAFSEEASIY272 DKRCDLWSLG282 VILYILLSGY292 PPFVGRCCGA 310 CPACQNMLFE320 SIQEGKYEFP330 DKDWAHISCA340 AKDLISKLLV350 RDAKQRLSAA 360 QVLQHPWVQG370 C
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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 .F4G or .F4G2 or .F4G3 or :3F4G;style chemicals stick;color identity;select .A:90 or .A:98 or .A:111 or .A:143 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:165 or .A:209 or .A:210 or .A:212 or .A:225 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (3R)-3-methyl-5-[(pyrimidin-4-yl)amino]-2,3-dihydro-1H-isoindol-1-one | Ligand Info | |||||
| Structure Description | Co-crytsal Structure of MNK2 in Complex With an Inhibitor | PDB:6CK3 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSTDSFSGRF
79 EDVYQLQEDV89 LGEGAHARVQ99 TCINLITSQE109 YAVKIIEKQP119 GHIRSRVFRE 129 VEMLYQCQGH139 RNVLELIEFF149 EEEDRFYLVF159 EKMRGGSILS169 HIHKRRHFNE 179 LEASVVVQDV189 ASALDFLHNK199 GIAHRDLKPE209 NILCEHPNQV219 SPVKICDFGG 252 SAEYMAPEVV262 EAFSEEASIY272 DKRCDLWSLG282 VILYILLSGY292 PPFVGRCCGA 310 CPACQNMLFE320 SIQEGKYEFP330 DKDWAHISCA340 AKDLISKLLV350 RDAKQRLSAA 360 QVLQHPWVQG370 C
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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 .F67 or .F672 or .F673 or :3F67;style chemicals stick;color identity;select .A:90 or .A:93 or .A:98 or .A:111 or .A:113 or .A:129 or .A:143 or .A:159 or .A:160 or .A:161 or .A:162 or .A:165 or .A:209 or .A:210 or .A:212 or .A:225 or .A:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 4-[5-(1-Methylpyrazol-4-yl)pyridin-3-yl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of wild type MNK2 in complex with inhibitor | PDB:6JLR | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [3] |
| PDB Sequence |
STDSFSGRFE
80 DVYQLQEDVL90 GEGAHARVQT100 CINLITSQEY110 AVKIIEKQPG120 HIRSRVFREV 130 EMLYQCQGHR140 NVLELIEFFE150 EEDRFYLVFE160 KMRGGSILSH170 IHKRRHFNEL 180 EASVVVQDVA190 SALDFLHNKG200 IAHRDLKPEN210 ILCEHPNQVS220 PVKICDFDLG 230 SGSAEYMAPE260 VVEAFSEEAS270 IYDKRCDLWS280 LGVILYILLS290 GYPPFVGRCG 300 PACQNMLFES321 IQEGKYEFPD331 KDWAHISCAA341 KDLISKLLVR351 DAKQRLSAAQ 361 VLQHPWVQ
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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 .BV9 or .BV92 or .BV93 or :3BV9;style chemicals stick;color identity;select .A:90 or .A:98 or .A:111 or .A:113 or .A:143 or .A:159 or .A:160 or .A:161 or .A:162 or .A:165 or .A:166 or .A:212 or .A:225 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3,3-Dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione | Ligand Info | |||||
| Structure Description | Co-crystal structure of MNK2 in Complex With Inhibitor | PDB:6CKI | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSTDSFSGRF
79 EDVYQLQEDV89 LGEGAHARVQ99 TCINLITSQE109 YAVKIIEKQP119 GHIRSRVFRE 129 VEMLYQCQGH139 RNVLELIEFF149 EEEDRFYLVF159 EKMRGGSILS169 HIHKRRHFNE 179 LEASVVVQDV189 ASALDFLHNK199 GIAHRDLKPE209 NILCEHPNQV219 SPVKICDFGG 252 SAEYMAPEVV262 EAFSEEASIY272 DKRCDLWSLG282 VILYILLSGY292 PPFVGRCCGA 310 CPACQNMLFE320 SIQEGKYEFP330 DKDWAHISCA340 AKDLISKLLV350 RDAKQRLSAA 360 QVLQHPWVQG370 C
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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 .FZJ or .FZJ2 or .FZJ3 or :3FZJ;style chemicals stick;color identity;select .A:90 or .A:91 or .A:92 or .A:93 or .A:98 or .A:111 or .A:113 or .A:129 or .A:143 or .A:159 or .A:160 or .A:161 or .A:162 or .A:165 or .A:209 or .A:210 or .A:212 or .A:225 or .A:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 5-[(7H-purin-6-yl)amino]-1H-isoindol-1-one | Ligand Info | |||||
| Structure Description | Crystal Structure of Mnk2-D228G in complex with Inhibitor | PDB:6CJY | ||||
| Method | X-ray diffraction | Resolution | 3.05 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSTDSFSGRF
79 EDVYQLQEDV89 LGEGAHARVQ99 TCINLITSQE109 YAVKIIEKQP119 GHIRSRVFRE 129 VEMLYQCQGH139 RNVLELIEFF149 EEEDRFYLVF159 EKMRGGSILS169 HIHKRRHFNE 179 LEASVVVQDV189 ASALDFLHNK199 GIAHRDLKPE209 NILCEHPNQV219 SPVKICDFGG 252 SAEYMAPEVV262 EAFSEEASIY272 DKRCDLWSLG282 VILYILLSGY292 PPFVGRCCGA 310 CPACQNMLFE320 SIQEGKYEFP330 DKDWAHISCA340 AKDLISKLLV350 RDAKQRLSAA 360 QVLQHPWVQG370 C
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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 .F4J or .F4J2 or .F4J3 or :3F4J;style chemicals stick;color identity;select .A:90 or .A:91 or .A:94 or .A:95 or .A:98 or .A:111 or .A:113 or .A:143 or .A:159 or .A:160 or .A:161 or .A:162 or .A:165 or .A:166 or .A:209 or .A:212 or .A:225 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 4-(7H-purin-6-ylamino)benzamide | Ligand Info | |||||
| Structure Description | Crystal Structure of Mnk2-D228G in complex with Inhibitor | PDB:6CJE | ||||
| Method | X-ray diffraction | Resolution | 3.36 Å | Mutation | Yes | [1] |
| PDB Sequence |
STDSFSGRFE
80 DVYQLQEDVL90 GEGAHARVQT100 CINLITSQEY110 AVKIIEKQPG120 HIRSRVFREV 130 EMLYQCQGHR140 NVLELIEFFE150 EEDRFYLVFE160 KMRGGSILSH170 IHKRRHFNEL 180 EASVVVQDVA190 SALDFLHNKG200 IAHRDLKPEN210 ILCEHPNQVS220 PVKICDFGPC 251 GSAEYMAPEV261 VEAFSEEASI271 YDKRCDLWSL281 GVILYILLSG291 YPPFVGRCCG 304 ACPACQNMLF319 ESIQEGKYEF329 PDKDWAHISC339 AAKDLISKLL349 VRDAKQRLSA 359 AQVLQHPWVQ369 GC
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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 .F4A or .F4A2 or .F4A3 or :3F4A;style chemicals stick;color identity;select .A:90 or .A:98 or .A:111 or .A:113 or .A:133 or .A:143 or .A:159 or .A:160 or .A:161 or .A:162 or .A:165 or .A:166 or .A:209 or .A:210 or .A:212 or .A:225 or .A:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3-(Pyridin-4-yl)imidazo[1,2-b]pyridazine | Ligand Info | |||||
| Structure Description | Crystal Structure of Mnk2-D228G in Complex With Inhibitor | PDB:6CJW | ||||
| Method | X-ray diffraction | Resolution | 3.38 Å | Mutation | Yes | [1] |
| PDB Sequence |
STDSFSGRFE
80 DVYQLQEDVL90 GEGAHARVQT100 CINLITSQEY110 AVKIIEKQPG120 HIRSRVFREV 130 EMLYQCQGHR140 NVLELIEFFE150 EEDRFYLVFE160 KMRGGSILSH170 IHKRRHFNEL 180 EASVVVQDVA190 SALDFLHNKG200 IAHRDLKPEN210 ILCEHPNQVS220 PVKICDFGGS 253 AEYMAPEVVE263 AFSEEASIYD273 KRCDLWSLGV283 ILYILLSGYP293 PFVGRCCGAC 311 PACQNMLFES321 IQEGKYEFPD331 KDWAHISCAA341 KDLISKLLVR351 DAKQRLSAAQ 361 VLQHPWVQGC371
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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 .FYV or .FYV2 or .FYV3 or :3FYV;style chemicals stick;color identity;select .A:90 or .A:91 or .A:98 or .A:111 or .A:143 or .A:159 or .A:160 or .A:161 or .A:162 or .A:165 or .A:166 or .A:212 or .A:225 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 3-phenyl-5-(pyridin-4-yl)-1H-indazole | Ligand Info | |||||
| Structure Description | Co-crystal structure of MNK2 in complex with an inhibitor | PDB:6CJH | ||||
| Method | X-ray diffraction | Resolution | 3.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
GSTDSFSGRF
79 EDVYQLQEDV89 LGEGAHARVQ99 TCINLITSQE109 YAVKIIEKQP119 GHIRSRVFRE 129 VEMLYQCQGH139 RNVLELIEFF149 EEEDRFYLVF159 EKMRGGSILS169 HIHKRRHFNE 179 LEASVVVQDV189 ASALDFLHNK199 GIAHRDLKPE209 NILCEHPNQV219 SPVKICDFGG 252 SAEYMAPEVV262 EAFSEEASIY272 DKRCDLWSLG282 VILYILLSGY292 PPFVGRCCGA 310 CPACQNMLFE320 SIQEGKYEFP330 DKDWAHISCA340 AKDLISKLLV350 RDAKQRLSAA 360 QVLQHPWVQG370 C
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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 .ET8 or .ET82 or .ET83 or :3ET8;style chemicals stick;color identity;select .A:90 or .A:91 or .A:98 or .A:111 or .A:113 or .A:143 or .A:159 or .A:160 or .A:162 or .A:165 or .A:166 or .A:209 or .A:210 or .A:212 or .A:225 or .A:226; 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 | Structure-based Design of Pyridone-Aminal eFT508 Targeting Dysregulated Translation by Selective Mitogen-activated Protein Kinase Interacting Kinases 1 and 2 (MNK1/2) Inhibition. J Med Chem. 2018 Apr 26;61(8):3516-3540. | ||||
| REF 2 | Mitogen-activated protein kinases interacting kinases are autoinhibited by a reprogrammed activation segment. EMBO J. 2006 Sep 6;25(17):4020-32. | ||||
| REF 3 | Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2. J Med Chem. 2020 Jan 23;63(2):621-637. | ||||
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