Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17485 | Target Info | |||
| Target Name | Menin-MLL1 interaction (MEN1-KMT2A PPI) | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MEN1-KMT2A | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Cholic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human menin in complex with MLL1 and LEDGF | PDB:3U88 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
GLKAAQKTLF
11 PLRSIDDVVR21 LFAAELGREE31 PDLVLLSLVL41 GFVEHFLAVN51 RVIPTNVPEL 61 TFQPSPAPDG73 GLTYFPVADL83 SIIAALYARF93 TAQIRGAVDL103 SLYPREGGVS 113 SRELVKKVSD123 VIWNSLSRSY133 FKDRAHIQSL143 FSFITGTKLD153 SSGVAFAVVG 163 ACQALGLRDV173 HLALSEDHAW183 VVFGPNGEQT193 AEVTWHGKGN203 EDRRGQTVNA 213 GVAERSWLYL223 KGSYMRCDRK233 MEVAFMVCAI243 NPSIDLHTDS253 LELLQLQQKL 263 LWLLYDLGHL273 ERYPMALGNL283 ADLEELEPTP293 GRPDPLTLYH303 KGIASAKTYY 313 RDEHIYPYMY323 LAGYHCRNRN333 VREALQAWAD343 TATVIQDYNY353 CREDEEIYKE 363 FFEVANDVIP373 NLLKEAASLL383 EASALQDPEC409 FAHLLRFYDG419 ICKWEEGSPT 429 PVLHVGWATF439 LVQSLGRFEG449 QVRQKVRIVS459 EGPVLTFQSE556 KMKGMKELLV 566 ATKINSSAIK576 LQLTAQS
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| Ligand Name: Glyoxalate, Glyoxylate | Ligand Info | |||||
| Structure Description | Crystal structure of human menin in complex with MLL1 and LEDGF | PDB:3U88 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
GLKAAQKTLF
11 PLRSIDDVVR21 LFAAELGREE31 PDLVLLSLVL41 GFVEHFLAVN51 RVIPTNVPEL 61 TFQPSPAPDG73 GLTYFPVADL83 SIIAALYARF93 TAQIRGAVDL103 SLYPREGGVS 113 SRELVKKVSD123 VIWNSLSRSY133 FKDRAHIQSL143 FSFITGTKLD153 SSGVAFAVVG 163 ACQALGLRDV173 HLALSEDHAW183 VVFGPNGEQT193 AEVTWHGKGN203 EDRRGQTVNA 213 GVAERSWLYL223 KGSYMRCDRK233 MEVAFMVCAI243 NPSIDLHTDS253 LELLQLQQKL 263 LWLLYDLGHL273 ERYPMALGNL283 ADLEELEPTP293 GRPDPLTLYH303 KGIASAKTYY 313 RDEHIYPYMY323 LAGYHCRNRN333 VREALQAWAD343 TATVIQDYNY353 CREDEEIYKE 363 FFEVANDVIP373 NLLKEAASLL383 EASALQDPEC409 FAHLLRFYDG419 ICKWEEGSPT 429 PVLHVGWATF439 LVQSLGRFEG449 QVRQKVRIVS459 EGPVLTFQSE556 KMKGMKELLV 566 ATKINSSAIK576 LQLTAQS
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LYS135
3.106
ASP136
3.551
ASP153
3.796
SER154
3.380
HIS181
4.478
GLU195
3.251
THR197
2.715
TRP198
3.208
HIS199
3.803
GLY200
3.158
LYS201
4.532
GLU204
4.444
ASP205
3.806
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| Ligand Name: L-2-Amino-4-(Guanidinooxy)Butyric Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human menin in complex with MLL1 and LEDGF | PDB:3U88 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
GLKAAQKTLF
11 PLRSIDDVVR21 LFAAELGREE31 PDLVLLSLVL41 GFVEHFLAVN51 RVIPTNVPEL 61 TFQPSPAPDG73 GLTYFPVADL83 SIIAALYARF93 TAQIRGAVDL103 SLYPREGGVS 113 SRELVKKVSD123 VIWNSLSRSY133 FKDRAHIQSL143 FSFITGTKLD153 SSGVAFAVVG 163 ACQALGLRDV173 HLALSEDHAW183 VVFGPNGEQT193 AEVTWHGKGN203 EDRRGQTVNA 213 GVAERSWLYL223 KGSYMRCDRK233 MEVAFMVCAI243 NPSIDLHTDS253 LELLQLQQKL 263 LWLLYDLGHL273 ERYPMALGNL283 ADLEELEPTP293 GRPDPLTLYH303 KGIASAKTYY 313 RDEHIYPYMY323 LAGYHCRNRN333 VREALQAWAD343 TATVIQDYNY353 CREDEEIYKE 363 FFEVANDVIP373 NLLKEAASLL383 EASALQDPEC409 FAHLLRFYDG419 ICKWEEGSPT 429 PVLHVGWATF439 LVQSLGRFEG449 QVRQKVRIVS459 EGPVLTFQSE556 KMKGMKELLV 566 ATKINSSAIK576 LQLTAQS
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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 .GGB or .GGB2 or .GGB3 or :3GGB;style chemicals stick;color identity;select .A:106 or .A:108 or .A:111 or .A:112 or .A:113 or .A:114 or .A:117 or .A:132 or .A:133 or .A:134 or .A:137 or .A:151 or .A:169 or .A:170 or .A:171 or .A:172; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4beta,8alpha,9r)-6'-Methoxy-10,11-Dihydrocinchonan-9-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of human menin in complex with MLL1 and LEDGF | PDB:3U88 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
GLKAAQKTLF
11 PLRSIDDVVR21 LFAAELGREE31 PDLVLLSLVL41 GFVEHFLAVN51 RVIPTNVPEL 61 TFQPSPAPDG73 GLTYFPVADL83 SIIAALYARF93 TAQIRGAVDL103 SLYPREGGVS 113 SRELVKKVSD123 VIWNSLSRSY133 FKDRAHIQSL143 FSFITGTKLD153 SSGVAFAVVG 163 ACQALGLRDV173 HLALSEDHAW183 VVFGPNGEQT193 AEVTWHGKGN203 EDRRGQTVNA 213 GVAERSWLYL223 KGSYMRCDRK233 MEVAFMVCAI243 NPSIDLHTDS253 LELLQLQQKL 263 LWLLYDLGHL273 ERYPMALGNL283 ADLEELEPTP293 GRPDPLTLYH303 KGIASAKTYY 313 RDEHIYPYMY323 LAGYHCRNRN333 VREALQAWAD343 TATVIQDYNY353 CREDEEIYKE 363 FFEVANDVIP373 NLLKEAASLL383 EASALQDPEC409 FAHLLRFYDG419 ICKWEEGSPT 429 PVLHVGWATF439 LVQSLGRFEG449 QVRQKVRIVS459 EGPVLTFQSE556 KMKGMKELLV 566 ATKINSSAIK576 LQLTAQS
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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 .0BR or .0BR2 or .0BR3 or :30BR;style chemicals stick;color identity;select .A:126 or .A:127 or .A:129 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:198 or .A:202 or .A:203; 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 | The same pocket in menin binds both MLL and JUND but has opposite effects on transcription. Nature. 2012 Feb 12;482(7386):542-6. | ||||
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