Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T46245 | Target Info | |||
| Target Name | Glutaminyl cyclase (QPCT) | ||||
| Synonyms | sQC; QPCT; QC; Glutamyl cyclase; GlutaminyltRNA cyclotransferase; Glutaminylpeptide cyclotransferase; EC | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | QPCT | ||||
| Biochemical Class | Acyltransferase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: L-tyrosine | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with neurotensin 1-5 | PDB:6YJY | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [1] |
| PDB Sequence |
GPAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 TVSDSKPDLS 192 LQLIFFDGEE202 AFLHWSPQDS212 LYGSRHLAAK222 MASTPHPPGA232 RGTSQLHGMD 242 LLVLLDLIGA252 PNPTFPNFFP262 NSARWFERLQ272 AIEHELHELG282 LLKDHSLEGR 292 YFQNYSYGGV302 IQDDHIPFLR312 RGVPVLHLIP322 SPFPEVWHTM332 DDNEENLDES 342 TIDNLNKILQ352 VFVLEYLHL
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| Ligand Name: L-phenylalanine | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala | PDB:6YI1 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [1] |
| PDB Sequence |
GPAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 TVSDSKPDLS 192 LQLIFFDGEE202 AFLHWSPQDS212 LYGSRHLAAK222 MASTPHPPGA232 RGTSQLHGMD 242 LLVLLDLIGA252 PNPTFPNFFP262 NSARWFERLQ272 AIEHELHELG282 LLKDHSLEGR 292 YFQNYSYGGV302 IQDDHIPFLR312 RGVPVLHLIP322 SPFPEVWHTM332 DDNEENLDES 342 TIDNLNKILQ352 VFVLEYLHL
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| Ligand Name: Benzylimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with 1-benzylimidazole | PDB:2AFX | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [2] |
| PDB Sequence |
ASAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 PDLSLQLIFF 198 DGEEAFLHWS208 PQDSLYGSRH218 LAAKMASTPH228 PPGARGTSQL238 HGMDLLVLLD 248 LIGAPNPTFP258 NFFPNSARWF268 ERLQAIEHEL278 HELGLLKDHS288 LEGRYFQNYS 298 YGGVIQDDHI308 PFLRRGVPVL318 HLIPSPFPEV328 WHTMDDNEEN338 LDESTIDNLN 348 KILQVFVLEY358 LHL
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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 .1BN or .1BN2 or .1BN3 or :31BN;style chemicals stick;color identity;select .A:140 or .A:159 or .A:201 or .A:202 or .A:207 or .A:248 or .A:249 or .A:303 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-leucine | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with neurotensin 1-5 | PDB:6YJY | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [1] |
| PDB Sequence |
GPAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 TVSDSKPDLS 192 LQLIFFDGEE202 AFLHWSPQDS212 LYGSRHLAAK222 MASTPHPPGA232 RGTSQLHGMD 242 LLVLLDLIGA252 PNPTFPNFFP262 NSARWFERLQ272 AIEHELHELG282 LLKDHSLEGR 292 YFQNYSYGGV302 IQDDHIPFLR312 RGVPVLHLIP322 SPFPEVWHTM332 DDNEENLDES 342 TIDNLNKILQ352 VFVLEYLHL
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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 .LEU or .LEU2 or .LEU3 or :3LEU;style chemicals stick;color identity;select .A:207 or .A:302 or .A:303 or .A:304 or .A:325 or .A:329; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Pyroglutamic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with neurotensin 1-5 | PDB:6YJY | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [1] |
| PDB Sequence |
GPAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 TVSDSKPDLS 192 LQLIFFDGEE202 AFLHWSPQDS212 LYGSRHLAAK222 MASTPHPPGA232 RGTSQLHGMD 242 LLVLLDLIGA252 PNPTFPNFFP262 NSARWFERLQ272 AIEHELHELG282 LLKDHSLEGR 292 YFQNYSYGGV302 IQDDHIPFLR312 RGVPVLHLIP322 SPFPEVWHTM332 DDNEENLDES 342 TIDNLNKILQ352 VFVLEYLHL
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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 .PCA or .PCA2 or .PCA3 or :3PCA;style chemicals stick;color identity;select .A:140 or .A:159 or .A:201 or .A:202 or .A:248 or .A:249 or .A:303 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PBD150 | Ligand Info | |||||
| Structure Description | Crystal structure of human secretory glutaminyl cyclase in complex with PBD150 | PDB:3PBB | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [3] |
| PDB Sequence |
ASAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 PDLSLQLIFF 198 DGEEAFLHWS208 PQDSLYGSRH218 LAAKMASTPH228 PPGARGTSQL238 HGMDLLVLLD 248 LIGAPNPTFP258 NFFPNSARWF268 ERLQAIEHEL278 HELGLLKDHS288 LEGRYFQNYS 298 YGGVIQDDHI308 PFLRRGVPVL318 HLIPSPFPEV328 WHTMDDNEEN338 LDESTIDNLN 348 KILQVFVLEY358 LHL
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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 .PBD or .PBD2 or .PBD3 or :3PBD;style chemicals stick;color identity;select .A:140 or .A:159 or .A:201 or .A:202 or .A:207 or .A:248 or .A:249 or .A:299 or .A:302 or .A:303 or .A:304 or .A:305 or .A:321 or .A:323 or .A:324 or .A:325 or .A:329 or .A:330; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-Acetylhistamine | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with N-acetylhistamine | PDB:2AFW | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [2] |
| PDB Sequence |
ASAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 PDLSLQLIFF 198 DGEEAFLHWS208 PQDSLYGSRH218 LAAKMASTPH228 PPGARGTSQL238 HGMDLLVLLD 248 LIGAPNPTFP258 NFFPNSARWF268 ERLQAIEHEL278 HELGLLKDHS288 LEGRYFQNYS 298 YGGVIQDDHI308 PFLRRGVPVL318 HLIPSPFPEV328 WHTMDDNEEN338 LDESTIDNLN 348 KILQVFVLEY358 LHL
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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 .AHN or .AHN2 or .AHN3 or :3AHN;style chemicals stick;color identity;select .A:140 or .A:159 or .A:201 or .A:202 or .A:248 or .A:249 or .A:302 or .A:303 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Vinylimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with 1-vinylimidazole | PDB:2AFZ | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [2] |
| PDB Sequence |
ASAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 PDLSLQLIFF 198 DGEEAFLHWS208 PQDSLYGSRH218 LAAKMASTPH228 PPGARGTSQL238 HGMDLLVLLD 248 LIGAPNPTFP258 NFFPNSARWF268 ERLQAIEHEL278 HELGLLKDHS288 LEGRYFQNYS 298 YGGVIQDDHI308 PFLRRGVPVL318 HLIPSPFPEV328 WHTMDDNEEN338 LDESTIDNLN 348 KILQVFVLEY358 LHL
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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 .NVI or .NVI2 or .NVI3 or :3NVI;style chemicals stick;color identity;select .A:140 or .A:159 or .A:201 or .A:202 or .A:248 or .A:249 or .A:303 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; 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-(6-fluoropyridin-3-yl)-2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase variant Y115E-Y117E in complex with SEN177 | PDB:6GBX | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [4] |
| PDB Sequence |
SAWPEEKNYH
43 QPAILNSSAL53 RQIAEGTSIS63 EMWQNDLQPL73 LIERYPGSPG83 SYAARQHIMQ 93 RIQRLQADWV103 LEIDTFLSQT113 PEGERSFSNI123 ISTLNPTAKR133 HLVLACHYDS 143 KYFSHWNNRV153 FVGATDSAVP163 CAMMLELARA173 LDKKLLSLKT183 VSDSKPDLSL 193 QLIFFDGEEA203 FLHWSPQDSL213 YGSRHLAAKM223 ASTPHPPGAR233 GTSQLHGMDL 243 LVLLDLIGAP253 NPTFPNFFPN263 SARWFERLQA273 IEHELHELGL283 LKDHSLEGRY 293 FQNYSYGGVI303 QDDHIPFLRR313 GVPVLHLIPS323 PFPEVWHTMD333 DNEENLDEST 343 IDNLNKILQV353 FVLEYLHL
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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 .S77 or .S772 or .S773 or :3S77;style chemicals stick;color identity;select .A:140 or .A:144 or .A:159 or .A:201 or .A:202 or .A:207 or .A:248 or .A:249 or .A:303 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4S)-4-amino-5-oxopentanehydrazide | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala | PDB:6YI1 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [1] |
| PDB Sequence |
GPAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 TVSDSKPDLS 192 LQLIFFDGEE202 AFLHWSPQDS212 LYGSRHLAAK222 MASTPHPPGA232 RGTSQLHGMD 242 LLVLLDLIGA252 PNPTFPNFFP262 NSARWFERLQ272 AIEHELHELG282 LLKDHSLEGR 292 YFQNYSYGGV302 IQDDHIPFLR312 RGVPVLHLIP322 SPFPEVWHTM332 DDNEENLDES 342 TIDNLNKILQ352 VFVLEYLHL
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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 .ORT or .ORT2 or .ORT3 or :3ORT;style chemicals stick;color identity;select .A:140 or .A:159 or .A:201 or .A:202 or .A:207 or .A:248 or .A:249 or .A:279 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-alaninamide | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with Glu(gamma-hydrazide)-Phe-Ala | PDB:6YI1 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [1] |
| PDB Sequence |
GPAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLK182 TVSDSKPDLS 192 LQLIFFDGEE202 AFLHWSPQDS212 LYGSRHLAAK222 MASTPHPPGA232 RGTSQLHGMD 242 LLVLLDLIGA252 PNPTFPNFFP262 NSARWFERLQ272 AIEHELHELG282 LLKDHSLEGR 292 YFQNYSYGGV302 IQDDHIPFLR312 RGVPVLHLIP322 SPFPEVWHTM332 DDNEENLDES 342 TIDNLNKILQ352 VFVLEYLHL
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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 .66N or .66N2 or .66N3 or :366N;style chemicals stick;color identity;select .A:279 or .A:287 or .A:288 or .A:299 or .A:302 or .A:303 or .A:325; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 | PDB:7D8E | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [5] |
| PDB Sequence |
AWPEEKNYHQ
44 PAILNSSALR54 QIAEGTSISE64 MWQNDLQPLL74 IERYPGSPGS84 YAARQHIMQR 94 IQRLQADWVL104 EIDTFLSQTP114 EGERSFSNII124 STLNPTAKRH134 LVLACHYDSK 144 YFSHNRVFVG156 ATDSAVPCAM166 MLELARALDK176 KLLSLKDLSL193 QLIFFDGEEA 203 FLHWSPQDSL213 YGSRHLAAKM223 ASTPHPPGAR233 GTSQLHGMDL243 LVLLDLIGAP 253 NPTFPNFFPN263 SARWFERLQA273 IEHELHELGL283 LKDHSLEGRY293 FQNYSYGGVI 303 QDDHIPFLRR313 GVPVLHLIPS323 PFPEVWHTMD333 DNEENLDEST343 IDNLNKILQV 353 FVLEYLHL
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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 .GYO or .GYO2 or .GYO3 or :3GYO;style chemicals stick;color identity;select .A:140 or .A:144 or .A:146 or .A:159 or .A:160 or .A:201 or .A:202 or .A:203 or .A:205 or .A:206 or .A:207 or .A:248 or .A:249 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Glutamine T-butyl ester | Ligand Info | |||||
| Structure Description | Crystal structure of human glutaminyl cyclase in complex with glutamine t-butyl ester | PDB:2AFU | ||||
| Method | X-ray diffraction | Resolution | 2.22 Å | Mutation | Yes | [2] |
| PDB Sequence |
ASAWPEEKNY
42 HQPAILNSSA52 LRQIAEGTSI62 SEMWQNDLQP72 LLIERYPGSP82 GSYAARQHIM 92 QRIQRLQADW102 VLEIDTFLSQ112 TPYGYRSFSN122 IISTLNPTAK132 RHLVLACHYD 142 SKYFSHWNNR152 VFVGATDSAV162 PCAMMLELAR172 ALDKKLLSLD190 LSLQLIFFDG 200 QEAFLHWSPQ210 DSLYGSRHLA220 AKMASTPHPP230 GARGTSQLHG240 MDLLVLLDLI 250 GAPNPTFPNF260 FPNSARWFER270 LQAIEHELHE280 LGLLKDHSLE290 GRYFQNYSYG 300 GVIQDDHIPF310 LRRGVPVLHL320 IPSPFPEVWH330 TMDDNEENLD340 ESTIDNLNKI 350 LQVFVLEYLH360 L
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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 .BGT or .BGT2 or .BGT3 or :3BGT;style chemicals stick;color identity;select .A:140 or .A:159 or .A:201 or .A:202 or .A:203 or .A:207 or .A:212 or .A:213 or .A:248 or .A:249 or .A:303 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(3-(2-Methyl-4-(thiophen-2-yl)thiazol-5-yl)propanoyl)piperidine-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41 | PDB:7COZ | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [6] |
| PDB Sequence |
AWPEEKNYHQ
44 PAILNSSALR54 QIAEGTSISE64 MWQNDLQPLL74 IERYPGSPGS84 YAARQHIMQR 94 IQRLQADWVL104 EIDTFLSQTP114 EGERSFSNII124 STLNPTAKRH134 LVLACHYDSK 144 YFSHWNNRVF154 VGATDSAVPC164 AMMLELARAL174 DKKLLSLKTV184 SDSPDLSLQL 195 IFFDGEEAFL205 HWSPQDSLYG215 SRHLAAKMAS225 TPHPPGARGT235 SQLHGMDLLV 245 LLDLIGAPNP255 TFPNFFPNSA265 RWFERLQAIE275 HELHELGLLK285 DHSLEGRYFQ 295 NYSYGGVIQD305 DHIPFLRRGV315 PVLHLIPSPF325 PEVWHTMDDN335 EENLDESTID 345 NLNKILQVFV355 LEYLHL
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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 .Q39 or .Q392 or .Q393 or :3Q39;style chemicals stick;color identity;select .A:140 or .A:159 or .A:160 or .A:201 or .A:202 or .A:207 or .A:248 or .A:249 or .A:299 or .A:303 or .A:304 or .A:305 or .A:321 or .A:325 or .A:329 or .A:330; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(Cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea | Ligand Info | |||||
| Structure Description | Crystal structure of a glutaminyl cyclase in complex with NHV-1009 | PDB:7CM0 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [7] |
| PDB Sequence |
AWPEEKNYHQ
44 PAILNSSALR54 QIAEGTSISE64 MWQNDLQPLL74 IERYPGSPGS84 YAARQHIMQR 94 IQRLQADWVL104 EIDTFLSQTP114 YGYRSFSNII124 STLNPTAKRH134 LVLACHYDSK 144 YFSNNRVFVG156 ATDSAVPCAM166 MLELARALDK176 KLLSLKTVPD190 LSLQLIFFDG 200 EEAFLHWSPQ210 DSLYGSRHLA220 AKMASTPHPP230 GARGTSQLHG240 MDLLVLLDLI 250 GAPNPTFPNF260 FPNSARWFER270 LQAIEHELHE280 LGLLKDHSLE290 GRYFQNYSYG 300 GVIQDDHIPF310 LRRGVPVLHL320 IPSPFPEVWH330 TMDDNEENLD340 ESTIDNLNKI 350 LQVFVLEYLH360 L
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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 .G5R or .G5R2 or .G5R3 or :3G5R;style chemicals stick;color identity;select .A:140 or .A:159 or .A:201 or .A:202 or .A:207 or .A:248 or .A:249 or .A:299 or .A:302 or .A:303 or .A:304 or .A:305 or .A:321 or .A:323 or .A:325 or .A:326 or .A:327 or .A:328 or .A:329 or .A:330; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS140
4.401
ASP159
2.825
GLU201
3.470
GLU202
3.590
TRP207
4.328
ASP248
3.025
LEU249
4.102
TYR299
3.162
VAL302
3.647
ILE303
3.705
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Hydrazides Are Potent Transition-State Analogues for Glutaminyl Cyclase Implicated in the Pathogenesis of Alzheimer's Disease. Biochemistry. 2020 Jul 21;59(28):2585-2591. | ||||
| REF 2 | Crystal structures of human glutaminyl cyclase, an enzyme responsible for protein N-terminal pyroglutamate formation. Proc Natl Acad Sci U S A. 2005 Sep 13;102(37):13117-22. | ||||
| REF 3 | Structures of human Golgi-resident glutaminyl cyclase and its complexes with inhibitors reveal a large loop movement upon inhibitor binding. J Biol Chem. 2011 Apr 8;286(14):12439-49. | ||||
| REF 4 | The structure of the human glutaminyl cyclase-SEN177 complex indicates routes for developing new potent inhibitors as possible agents for the treatment of neurological disorders. J Biol Inorg Chem. 2018 Dec;23(8):1219-1226. | ||||
| REF 5 | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 | ||||
| REF 6 | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. Int J Biol Macromol. 2021 Feb 15;170:415-423. | ||||
| REF 7 | Discovery of highly potent human glutaminyl cyclase (QC) inhibitors as anti-Alzheimer's agents by the combination of pharmacophore-based and structure-based design. Eur J Med Chem. 2021 Dec 15;226:113819. | ||||
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